Tutorial-l Mailing List

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Mon Oct 06 2008 - 12:03:17 CDT

You could track the timestep within the tcl script (I think you'll
have to create and update your own variable to do so), and then scale
the forces based on that. Let us know if it's still not clear.

On Oct 6, 2008, at 10:35 AM, Katherine Parra wrote:

> Hello all!
> I am trying to run a simulation imposing harmonic constraints to
> the center of mass of some atoms in 18 protein molecules in NAMD,
> all of them are in the same pdb file. I am following the user-
> defined forces in NAMD tutorial and actually I already ran a
> simulation using the tcl forces script from the tutorial but I
> would like to know if I could slowly take off this forces from my
> system, if this is possible, What command should I change from the
> original tcl forces script?
> Thanks for your attention and your possible help.
> Katherine Parra

**
** Visit http://www.greatcircle.com/majordomo/ for more info on majordomo
**