VMD-L Mailing List

From: Leyla Celik (lc_at_chem.au.dk)
Date: Tue Mar 01 2005 - 04:35:27 CST

Hello again,

As it is, I have a couple of old crd files that I have been trying to read into
VMD, but instead of opening the file I just get a

"Problem reading CRD file"

I have tried to open corresponding psf and crd files to, but none of the options
works...

Any suggestions?

Leyla

Citat John Stone <johns_at_ks.uiuc.edu>:
>
> 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
> 

-- 
Leyla Celik
Kemisk Institut
Aarhus Universitet
Langelandsgade 140
8000 Århus C
Danmark
Tlf: +45 8942 3869
e-mail: lc_at_chem.au.dk