From: Axel Kohlmeyer (
Date: Thu May 21 2009 - 11:28:15 CDT

On Thu, 2009-05-21 at 11:45 -0400, KIRTANA S wrote:
> My .psf file does not display the angles and dihedrals .Is there any
> way I can create it.

if you are using VMD 1.8.6 and older, angle and dihedral information
is only generated and written out by psfgen. VMD itself will ignore
this data upon reading.

starting with recent VMD 1.8.7 alpha/beta versions, the ability to
read and write angles, dihedrals and impropers has been added to
VMD and some of the molfile plugins support this feature, e.g.
the plugin for writing .psf files. of course this still requires
the information to be present or generated. psfgen or autopsf as
as a convenient frontend for it can do this for biomolecules or
the topotools plugin in cases where you want to do this manually
from scripts.


> Thanks and Regards
> kirtana

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.