VMD-L Mailing List

From: Justin Gullingsrud (jgulling_at_mccammon.ucsd.edu)
Date: Mon Oct 06 2003 - 09:24:48 CDT

Hi Vlad,

On Monday, October 6, 2003, at 05:20 AM, Vlad Cojocaru wrote:

> Dear vmders,
> I am making a selection on my MD system like this: "water within 5
> of nucleic" trying to trap the waters that are close to my solute. The
> problem is that these waters of course will not be the same during
> trajectory. So the selection is applied to the first frame and then
> the waters selected are moving further from my solvent and other
> waters will come close. So, the question is how to update the
> selection for each frame? I tried with "mol selupdate 5 0" but somehow
> it does not work.

I think you just forgot to add "0" or "1" to the end of your command,
i.e.
   mol selupdate 5 0 1
to turn it on and
   mol selupdate 5 0 0
to turn it off. If you leave the last argument out, it just returns
the current state.

In VMD 1.8.1 you can activate this feature from the Trajectory tab of
the Graphics menu.

Cheers,
Justin

> Thank you very much,
> vlad
>
> --
> Vlad Cojocaru Max Planck Institute for Biophysical Chemistry
> Department: 060 Am Fassberg 11, 37077 Goettingen, Germany tel:
> ++49-551-201.1327 e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
> home tel: ++49-551-9963204
>