VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Feb 24 2005 - 17:42:46 CST

Leyla,
  At the present time the VMD plugin for CHARMM 'crd' coordinate
files can only read them, it doesn't have the ability to write new files.
Someone with expertise in the CHARMM coordinate file format could probably
add the export/write capability to the VMD plugin in a few hours.
I'd be happy to help someone do this if someone with the expertise and
ability to verify/test the results wants to work on it.

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Feb 24, 2005 at 08:31:03PM +0100, Leyla Celik wrote:
> Hello,
>
> I am tryin to use CHARMM to analyse my NAMD simulation output but need a CHARMM
> crd and psf file as inputs besides the dcd. I figured out how to write a CHARMM
> psf file in VMD/psfgen but I haven't been able to create the relevant crd file.
> Is it possible using VMD? Or does anyone have another solution?
>
> Thanks
> Leyla
>
>
>
> --
> Leyla Celik
> Ph.d. student
> Department of Chemistry
> University of Aarhus
> Langelandsgade 140
> DK-8000 Aarhus C
> Denmark
> Tel: +45 8942 3869
> e-mail: lc_at_chem.au.dk 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078