VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jul 11 2008 - 10:48:11 CDT

Hi,
  You should be able to query the 'ufx', 'ufy', and 'ufz' data for
the atoms of interest if you've told VMD to store the coordinate frames
for the IMD run as they're computed. (if I recall correctly)

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Jul 09, 2008 at 02:11:19AM +0100, S.K. Ghosh wrote:
> Hi VMD users,
>
> Could someone respond to this please.
>
> Thanks,
> Sourav
>
> On Jul 7 2008, S.K. Ghosh wrote:
>
> >Hi VMD users,
> >
> >I would like to pull the 3-4 loop of my protein by some distance by
> >applying the force on an atom interactively in VMD and sending the force
> >from VMD to NAMD (using IMD on). I am curious to find out what is the
> >magnitude of the force that I am applying. Could someone let me know
> >whether I can check that in VMD?
> >
> >Thanks,
> >Sourav
> > 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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