VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Apr 18 2007 - 16:50:16 CDT

Hi,
  As I recall, you can query the "ufx", "ufy", and "ufz" values with atom
selections when the newly received timestep is updated, using a trace
on vmd_frame. I don't have an example script sitting around just
this moment, however it shouldn't be hard for you to throw one together.

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Apr 17, 2007 at 11:44:30PM +0900, preeda wrote:
> Dear John and other VMD users,
>
> Now I perform IMD simulation by running NAMD and VMD in real-time and
> use a PHANTOM to apply a force on a protein through a tool devices
> provided in VMD option.
>
> Do you know how can I obtain a force data that I applied during the IME
> simulation and also trajectory data of a PHANTOM?
> I would like to analysis the force curve and trajectory data of a
> PHANTOM during the IME simulation.
>
> If anyone knows on how to obtain these data, any suggestion will be
> greatly appreciated.
>
> Thanks,
>
> Preeda 

-- 
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