VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Oct 11 2015 - 09:46:22 CDT

On Sun, Oct 11, 2015 at 10:07 AM, Frank Zack <frankzack123_at_remove_yahoo.de>
wrote:

> Hi all,
> im trying to write a quickndirty coarse-graining script using vmd.
> My code looks similar to:
>
> set mol [mol new atoms 1]
> set sel [atomselect 1 all]
> set newpos [list [list 1.0 1.0 1.0]]
> $sel set {x y z} $newpos
>
> Unfortunately, the assignment of new coordinates is not permanent, as
>
> $sel get {x y z}
>
> returns
>
> {0.0 0.0 0.0}
>
> What am I doing wrong? How can I create new particles?
>

also need to create a frame so you have storage for your coordinates. add:

animate dup $mol

axel.

>
> Thank you for any advice,
>
> regards,
> frank.
> 

-- 
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.