From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Aug 23 2012 - 02:47:02 CDT

On Thu, Aug 23, 2012 at 7:28 AM, Bhanita Sharma <bhanita123_at_gmail.com> wrote:
> Hi,
> I want to calculate the radial distribution function from the center of
> mass of a non spherical molecule. How can I do that..? Please help me in
> doing this..

the simplest way to deal with it, is to find the atom that
is closest to the center of mass and use that as reference.

unless you have a very unusual molecule and need
the g(r) for unusual purposes, this will make no significant difference.

axel.

>
> Thanks a lot in Advance,
>
> Bhanita Sharma

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.