cubic periodic boundary box: what happen if I use a rectangular box?

From: Margaret S. Cheung (mscheung_at_UH.EDU)
Date: Mon Apr 16 2007 - 14:43:13 CDT


Somehow I thought that it is acceptable to use cubic periodic boundary
box, but a rectangular periodic boundary box isn't, in order to compare
concentrations with experimental bulk values. Is it a common practice to
use a rectangular periodic boundary box for all-atom simulations?

Thank you.

Margaret S. Cheung
Assistant Professor
Department of Physics
629C Science and Research 1
University of Houston
Houston, TX 77204-5005
(O)713-743-8358 (F)713-743-3589

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