VMD-L Mailing List

From: maria goranovic (mariagoranovic_at_gmail.com)
Date: Tue May 24 2011 - 04:45:55 CDT

waitfor all did the trick. thank you !

On Mon, May 23, 2011 at 6:11 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Mon, May 23, 2011 at 11:13 AM, maria goranovic
> <mariagoranovic_at_gmail.com> wrote:
> > Hi All
> > I am trying to read a gromacs .xtc file containing 11 frames into vmd
> using
> > the following:
> > mol load gro temp.gro
> > mol addfile {temp.xtc} type {xtc} first 0 last -1 step 1 waitfor 1 0
>
> > animate style loop
> > set nframes [molinfo 0 get numframes]
> > puts "the number of frames is $nframes"
> >
> > However, nframes is only 5? On the GUI, VMD can see 11 frames, but why is
> > nframes output as 5 ?
>
> which version of VMD?
>
> try using "waitfor all" instead of "waitfor 1".
> the latter will not wait until all frames are
> read in. so you have a race condition and
> thus $nframes has only the current value.
>
> axel.
>
>
> > --
> > Maria G.
> > Technical University of Denmark
> > Copenhagen
> >
>
>
>
> --
> Dr. Axel Kohlmeyer
> akohlmey_at_gmail.com http://goo.gl/1wk0
>
> Institute for Computational Molecular Science
> Temple University, Philadelphia PA, USA.
> 

-- 
Maria G.
Technical University of Denmark
Copenhagen