[gmx-users] g_rms, g_rmsdist, g_rmsf

[Nuno Ricardo Loureiro Ferreira]

Arturas <a3arzi at vaidila.vdu.lt> escreveu:

> Hello,
> 
> I checked VMD but did not find that option.
> Sorry for question out of tempo.
> 
> the best
> Arturas
> 

Hi Arturas


As Xavier said, VMD is able to do that quite easy.
1-Load your traj.
2-Choose a bond between two atoms, pressing the "2" Key in your keyboard. 
3-Go to Graphics/Labels window
4-Choose bonds at your left. You would see in the list the bond already chosen.
5-Open Graph tab, and save . You will get a file with two columns, the frame
number and the distance between the two atoms chosen.

But, some TCL script don't hurt anybody ;)

Regards,
Nuno

P.S. This notes are valid for VMD 1.8.2. NOt sure if they are ok for earlier
versions.