VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Sat Feb 07 2004 - 08:13:33 CST

On Sat, 07 Feb 2004 13:47:17 +0100 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:

dear vlad,

>
> mol load parm7 topfile pdb initialpdb
> mol addfile trajfile type crdbox
                                   ^^^^^^ add a 'waitfor all' here

see the description of the mol command in the manual.

take care,
        axel.
> ...
> 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
>
> --
> 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
>
>
> 

--
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Axel Kohlmeyer      e-mail:  axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.