VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Jul 07 2004 - 14:16:33 CDT

Hi,
  It is likely that some of your "crd" files are actually
amber restart files. There are two similar-but-different
files produced by the Amber tools, and VMD only reads the
trajectory form of these files (crd). There was another
discussion of this very subject just a few days ago:
  http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/2985.html

If you determine that your file is indeed a restart file, then
you'll need to use the "rst7" file reader plugin for that.
If that still doesn't work, let me know.

I hope to make the Amber file reader plugins more forgiving
of these different files at some point when I'm less swamped
with other tasks.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jul 06, 2004 at 10:44:57PM +0200, Valodymyr Nechyporuk-Zloy wrote:
> Dear users,
>
> I have problems with mdcrd files from sander (AMBER 7.0).
> I loaded *.top file with file type parm7.
> After, I loaded *.mdcrd file with file type crdbox.
> I could load mdcrd files with first ns. But some files I could not (the
> last). They look similar. What should I do?
>
> Volodya 

-- 
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