VMD-L Mailing List

From: Patti Schaefer (psschaefer_at_wiscmail.wisc.edu)
Date: Thu Jul 15 2004 - 13:55:18 CDT

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