VMD-L Mailing List

From: Juan Alfredo Freites (jfreites_at_ea.nacs.uci.edu)
Date: Sat Feb 07 2004 - 12:28:18 CST

On Sat, 7 Feb 2004, Vlad Cojocaru wrote:

> Dear vmd users,
> I am trying to write a tcl script which loads a trajectory and then
> using atomselection makes some selections and writes some pdb files from
> different frames of the trajectory.
> The problem that I have is that vmd is executing the subsequent
> commands before loading the entire trajectory. As an example:
>
> mol load parm7 topfile pdb initialpdb
> mol addfile trajfile type crdbox
> ...
> set num_steps [molinfo top get numframes]
>
> So....in this case vmd is always setting the num_steps variable before
> loading all the frames from the traj. Does anybody have any ideea how to
> avoid this behaviour and make vmd first load the entire traj. and then
> execute following commands?
> Thanks a lot
> vlad
>
>

You can add "waitfor all" to the end of mol addfile command, this will
load the whole trajectory first.

mol addfile trajfile type crdbox waitfor all

More information at
http://www.ks.uiuc.edu/Research/vmd/current/ug/node123.html 

-- 
J. Alfredo Freites
Department of Physics
University of California, Irvine
Irvine, CA 92697-4575
(949) 824-9921