VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue May 16 2006 - 10:58:05 CDT

Hi,
  This is not a bug. You should use "-m" in the command line to
load the files into separate molecules. See the comand line
help info:
  vmd -dispdev text -h

I assume you're using the VASP plugins from this site, yes?:
  http://www.uni-ulm.de/~ssakong/?file=vmdplugins.html&dir=&lang=en

I haven't read their source code yet, so I'm not sure if these
two files are meant to be used additively (as one would use a
set of matching PSF/DCD/PDB files to create one molecule)
or independently (load them each in separate molecules).
If they are meant to be used additively, then the behavior you're
seeing is correct. If they are meant to be used separately,
then you'll need to use the "-m" flag at the VMD command line
to indicate that the files are intended to be loaded as
separate molecules. The syntax you listed in your email
loads them into a single molecule..

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, May 15, 2006 at 08:36:09PM -0700, Rob wrote:
>
> Hello,
>
> I use the VASP interface to VMD, but I don't think
> this is relevant.
>
> Following two calls work fine:
> $ vmd -POSCAR POSCAR
> $ vmd -CHGCAR CHGCAR
>
> but combining this into one command does not work:
> $ vmd -POSCAR POSCAR -CHGCAR CHGCAR
>
> However, I do see in the console window that both
> files are read; but only the first one is listed in
> the mainform (and hence only the first one is
> displayed).
>
> Is this a bug?
>
> Rob.
>
>
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
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