simulation with large number of wall-bounded regions?

If the molecules don't interact, why can't you just put them all in
the same box? Basically this would be an ideal gas simulation.


Hi, Stan. I can’t do that, because then atoms belonging to the same molecule could get very far apart (i.e. the “solution” would be orders of magnitude more dilute), and this would probably destroy the crystallite-nucleation behavior I’m trying to study. So, each molecule has to be confined in a manner which sets the solution concentration to a specified value set by the size of the local box.