From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Mon Apr 16 2007 - 15:48:09 CDT
Yes, it's very common. I don't think there is any reason to expect
that the specific ratio of dimensions (whether it is 1:1:1 or
something else) will affect physical properties such as
concentration. Maybe you could elaborate on your concern?
On Apr 16, 2007, at 2:43 PM, Margaret S. Cheung wrote:
> 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
> email: mscheung_at_uh.edu
> (O)713-743-8358 (F)713-743-3589
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:46:12 CST