VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Sep 15 2009 - 17:10:32 CDT

On Tue, 2009-09-15 at 14:35 -0700, Goutham wrote:
> Hey All,

hey goutham,

> I am trying to generate a PSF file for a given amber input files.
> Using the top and crd files, I am able to load it in VMD. I tried
> making a selection of all atoms after that, and tried "writepsf". But
> this gave a warning:
>
> PSF file is incomplete, no angles, dihedrals, or impropers will be
> written.
>
> Can anyone help me if I can generate a proper psf file from here?

at the moment you either have to use a different tool to convert
or generate the .psf from scratch. the parm/parm7 reader plugin
in VMD does not support reading of angles/dihedrals/impropers etc.
so the .psf write - although itself capable to write those entries -
cannot write them.

cheers,
   axel.

>
> Thanks
> Goutham
>
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com 
Research Associate Professor
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.