[gmx-users] g_rms, g_rmsdist, g_rmsf

Nuno Ricardo Loureiro Ferreira nunolf at ci.uc.pt
Fri Apr 9 15:30:01 CEST 2004

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 ;)


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

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