Boundaries of the box used for visualisation are totally arbitrary, it
makes not difference when the various simulations are being performed.
Most efficient to simply process it at the end to get the visual
representation you want
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamic
Hello everybody,
I know that due to periodic boundary conditions the molecules move from one
side of the box to the other side and moves outside the box. I also know
how to use trjconv to solve this problem and I usually do this step at the
end of the simulation. However I have noticed that after
