From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Wed Nov 08 2006 - 15:58:09 CST
Since your system is in a bilayer, it should be fine. Had it been in a
solvent like water, you could have considered not doing wrapAll.
On 11/8/06, Vinit Rege <vrege_at_asu.edu> wrote:
>
> I was reading some of the posts here and I am not confused a bit about
> using WrapAll in the simulations. I am running MD on a system of
> bacteriorhodopsin in POPC bilayer with PBC and wrapall set ON... I am trying
> to get RMSD plot and eventually Diffusion coefficients... Am I being wrong
> to use WrapAll ?
>
> sincerely,
> Vinit
>
-- **************************************** Neelanjana Sengupta, PhD student Dept. of Chemistry Univ. of California-Irvine Irvine, CA 92697 USA Phone: 1-949-824 9921 email: sengupta_at_uci.edu ****************************************
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