VMD-L Mailing List

From: Olaf Lenz (olenz_at_icp.uni-stuttgart.de)
Date: Thu May 22 2014 - 05:45:00 CDT

Hi!

Can you try to restate your question? I do not fully understand it.

When you wrap a trajectory around a center of mass, this means that the
image will move with the center of mass of the centersel. If you want an
image that does not move, you have to center around some absolute
coordinates, e.g. the origin, or the center of the box.

The pbc methods do not rotate the system.

Olaf

2014-05-22 11:43 GMT+02:00 Norman Geist <norman.geist_at_uni-greifswald.de>:

> Hi,
>
>
>
> is there any special reason why the „box“ is still moving after having
> wrapped with “–center com –centersel whatever” or otherwise, is there an
> option to align a system by just translations _*not*_ rotations or will I
> have to script that?
>
>
>
> Thanks
>
>
>
> Norman Geist
>
>
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-- 
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49-711-685-63607