VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Aug 09 2017 - 05:40:02 CDT

On Wed, Aug 9, 2017 at 4:59 AM, Albert <mailmd2011_at_gmail.com> wrote:

> Hello,
>
> I tick the smooth trajectory function in VMD. However, I noticed that some
> of my molecule is distorted and looks very weird. I am just wondering how
> to solve this problem?
>

​the trajectory smoothing in VMD works by simply applying a window average
to atom positions. the observed distortion is a consequence of that and
cannot be avoided unless you would implement a much more complex algorithm.

axel.

>
> Thanks a lot
>
> Albert
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.