VMD-L Mailing List

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Wed Dec 08 2010 - 19:11:17 CST

Hi!

I was wondering whether psfgen is able to read PSF files with extended
atom types. I am trying to solvate a PSF+PDB file created with CHARMM
which contains sugars, written in the XPLOR format. I get the following
error:

cross-term entries present in topology definitions
reading structure from psf file protein_xplor.psf
Error processing bonds

I am using psfgen 1.4.7 in VMD 1.8.7.

Thank you!

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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