If anyone know how to delete molecules at edges of calculation box in
LAMMPS, would you tell me how to do it?
I don't use periodic boundary condition, and I would like to delete
molecules which reach to the end of calculation box.
My system is under strong electric field in x direction, so certain
positive and negative ions try to escape from the box at the yz plane at
"xlo" and "xhi" of calculation box.
But without any command for it, it cause errors in terms of Bonds.
I tried to use delete_atoms and delete_bonds as following, but it seems
it doesn't work in my case...
I might be wrong, but probably because it is for the initial condition?
I would be appreciate any suggestions.
Thank you very much.