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