VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Mar 29 2006 - 14:18:50 CST

Lubos,
  Can you send me the DLPOLY file that gives you trouble?
Which version of DLPOLY made the file you're loading?
I just had another user report a problem (MacOS X) when loading
DLPOLY files with some of the older revs, it might be some sort of
buffer overflow in the dlpoly plugin. He's now testing VMD 1.8.4b13,
and it's working for him so far. (b13 has twice as large string buffers
for atom names as older revs had, so if it's an overflow problem, that
would explain why it's not bombing on his file with the latest version).
Try the test versions I've got posted here and let me know if you get
different results:
  http://www.ks.uiuc.edu/Research/vmd/alpha/

  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Mar 29, 2006 at 10:08:57PM +0200, Mgr. Lubos Vrbka wrote:
> hi guys,
>
> i exhibit quite strange behavior when using vdw representation.
>
> my trajectory files come from dlpoly, i am using vmd 1.8.4a22. when i
> load the trajectories, i cannot visualize using the vdw representation -
> the output is just blank window. weird thing is that using e.g. licorice
> shows everything correctly. cpk doesn't seem to work as well.
>
> this happens only when several files are loaded to one trajectory.
>
> maybe there is some overflow? files themselves seem to be ok...
>
> regards,
> lubos
>
> --
> .....................................................
> Mgr. Lubos Vrbka
>
> Center for Biomolecules and Complex Molecular Systems
> Institute of Organic Chemistry and Biochemistry
> Academy of Sciences of the Czech Republic
> Prague, Czech Republic
>
> http://www.molecular.cz/~vrbka
> ..................................................... 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078