I mean if I run those scripts, in one code the particle rapidly goes to bottom of box, both in other one the particle goes down just a little and doesn’t reach to the bottom of box, I should mention that timestep and run steps are the same.
I mean if I run those scripts, in one code the particle rapidly goes to
bottom of box, both in other one the particle goes down just a little and
doesn't reach to the bottom of box, I should mention that timestep and run
steps are the same.
but as andrew had pointed out, your input scripts differ in the definition
of walls, so they are *not* the same.
so the difference is not likely due to how the atom positions are provided.
for any software, it doesn't matter where data is coming from.