VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 20 2008 - 00:15:33 CDT

Hi,
  I haven't played with this in eons, but please try out the
"ufx" "ufy" and "ufz" atom selection keywords. You should be able
to set those values which if I recall correctly will transmit those
as force commands to the running MD simulation. My memory is hazy on
this as I haven't used it in years, but try that out and let me know
if it works for you. I'm going to be away from email until July 8th,
but I'll check back with you then.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, May 27, 2008 at 09:06:34AM +0200, Stephan Frickenhaus wrote:
> Hello VMD supporters,
>
> I want to define forces in vmd for IMD with namd per TCL rather than by
> mouse.
> Is there a TCL-interface to define/undefine forces on atoms and steer MD
> with them from a TCL script/command?
>
> Thanks in advance,
> Stephan
>
> --
> Prof. Dr. Stephan Frickenhaus
> Alfred-Wegener-Institut f. Polar- u. Meeresforschung
> Am Handelshafen 12
> 27570 Bremerhaven
> stephan.frickenhaus_at_awi.de
> 0471-4831-1179
> 0151-1741 1631
>
> Hochschule Bremerhaven - Bio-Analytik, FB 1
> An der Karlstadt 8
> 27568 Bremerhaven
> 0471-4823-525
> 0151-1741 1631 

-- 
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