VMD-L Mailing List

From: Eric Smoll (ericsmoll_at_gmail.com)
Date: Wed Sep 10 2014 - 15:03:39 CDT

Thank you, John. I will give it a shot.

What is the "ABI plugin?" I do not see it listed on this page:
http://www.ks.uiuc.edu/Research/vmd/plugins/

- Eric

On Wed, Sep 10, 2014 at 1:45 PM, John Stone <johns_at_ks.uiuc.edu> wrote:

> If you know the trr format, it would probably be pretty easy to
> add velocity reading support into the plugin source code.
>
> The VMD plugin ABI version 10 added support for velocities many years ago,
> so it's just a file-format- and plugin-specific coding task to add
> velocity reading support.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Wed, Sep 10, 2014 at 01:28:56PM -0600, Eric Smoll wrote:
> > Hello VMD users,
> > According to this page:A
> > [1]http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/trrplugin.html
> > VMD ignores velocities in a gromacs binary trajectory files (xtc and
> trr
> > files.)
> > If I have a need for velocity information, what is the best way to
> > configure GROMACS and/or VMD to import this information.
> > Best,
> > Eric
> >
> > References
> >
> > Visible links
> > 1. http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/trrplugin.html
>
> --
> NIH Center for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> http://www.ks.uiuc.edu/Research/vmd/
>