From: Margaret S. Cheung (
Date: Mon Apr 16 2007 - 15:46:48 CDT


We are trying to solvate an asymmetric molecule and we would like to use
a "cubic" periodic boundary box in which the box length is determined by
the largest edge to edge distance of this molecule. We tried to avoid
the "padding" approach, else it will give us a rectangular box if
following the VMD solvate tutorial.

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