VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 15 2008 - 12:39:12 CDT

Hi,
  Just a quick note regarding velocity data for future reference...

On Wed, Oct 15, 2008 at 12:20:33PM -0400, Axel Kohlmeyer wrote:
[...]
> vmd currently does not read or store velocity information
> and thus will not write it out.

The current version of the VMD plugin API now supports velocity data and
the recent VMD 1.8.7 test versions will read velocity data from plugins
that implement support for new APIs.

This is being used by the plugins for Desmond (D.E. Shaw Research),
which are distributed with Desmond itself. None of the other VMD
plugins have been updated for velocity support yet, but we should be
able to support velocity data in the AMBER NetCDF format, and others,
as applicable. I'll likely also add velocity records to the new
binary file formats I'm working on.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu 

-- 
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