VMD-L Mailing List

From: Albert (mailmd2011_at_gmail.com)
Date: Wed Aug 09 2017 - 09:00:59 CDT

so there is no solution for this issue currently?

regards

On 08/09/2017 12:40 PM, Axel Kohlmeyer wrote:
>
>
> On Wed, Aug 9, 2017 at 4:59 AM, Albert <mailmd2011_at_gmail.com
> <mailto: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 <mailto:akohlmey_at_gmail.com>
> http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.