VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Jul 15 2004 - 13:58:24 CDT

Patti,
  We've released a new PSF reader plugin which supports the new
Charm 31 alpha test versions. You'll need to download and install the
updated PSF reader plugin by downloading the plugins and following
the directions on this page:
  http://www.ks.uiuc.edu/Research/vmd/plugins/182update4/

Let us know if you still have problems after updating your
plugins.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jul 15, 2004 at 01:55:18PM -0500, Patti Schaefer wrote:
> I have recently run into a problem loading files created with c31a2
> version of charmm. The executable I am using has been compiled with
> CMAP and CHEQ, which alters the format of the psf and dcd files. When
> I now try to load a molecule with VMD to see the trajectory created,
> vmd quits.
>
> Loading the psf causes the following message:
>
> Line too short in psf file:
> 0.00000
>
> couldn't read atom 1
> ERROR) molecule_structure: Unable to read structure for molecule 0
> Info) Analyzing structure ...
> Info) Atoms: 4525
> Info) Residues: 4525
> Info) Waters: 0
> Info) Segments: 0
> Info) Fragments: 4525 Protein: 0 Nucleic: 0
>
> Then, if I try to load a dcd, I get the message "Bus error" and the
> program goes through an automatic logout process.
>
> Do you have any suggestions for how I might remedy this problem?
>
>
> thanks!
>
> Patti Schaefer
> Department of Chemistry & Theoretical Chemistry Institute
> University of Wisconsin - Madison
> 1101 University Ave.
> Madison, WI 53706
> Phone: (608) 265-3644 (office)
> (608) 241-1765 (home)
> Email: psschaefer_at_wisc.edu
> 

-- 
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