From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Wed Jun 22 2011 - 00:05:18 CDT

Hi!

I am wondering whether future versions of VMD/psfgen will support reading
PSFs which contain extended atom types, as used in the new CHARMM
carbohydrates or Generalized Force Field atom types.

This is what I get using VMD 1.9 when reading a PSF with extended atom
types:

vmd > package require psfgen
1.5.0
vmd > readpsf protein_xplor.psf
reading structure from psf file 1uwf_mann_xplor.psf
Error processing bonds

MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.

The xplor PSF file was created using CHARMM and contains the following
first line:

PSF EXT CMAP CHEQ

Thanks!

      Gianluca

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Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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