[gmx-users] how to superimpose protein in frames?

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Jun 12 14:40:27 CEST 2015


trjconv -fit rot+trans

T.

On Fri, Jun 12, 2015 at 2:37 PM, Albert <mailmd2011 at gmail.com> wrote:

> Hello:
>
> I am just wondering is it possible to superimpose the protein backbone in
> each frame? I try to do this by command:
>
> trjconv -f md.xtc -s md.tpr -pbc res -center
>
> when it pop up options for center, I select "backbone". However, when I
> visualize it in VMD, the protein in trjaceotry is not superimposed at
> all.....
>
>
> thx
>
> Albert
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-- 
Tsjerk A. Wassenaar, Ph.D.


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