VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Aug 15 2012 - 06:53:16 CDT

On Wed, Aug 15, 2012 at 1:04 PM, bond.james <bond.james_at_163.com> wrote:
> Hi,
> I've finished a MD of water permeation through CNT. Now I would like to
> make statistics for interaction energy of a water molecule in the CNT at
> axis Z with the other water molecules ,CNT and total interaction. I've
> search in the mailing list and VMD plug-in /scripts pages,but didn't find
> any related. does anyone have some suggestions?

you must not have looked very hard. how about this?

http://www.ks.uiuc.edu/Research/vmd/plugins/namdenergy/

axel.

> Thank you very much.
>
> thom
>
> 

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