VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Apr 08 2012 - 14:12:19 CDT

On Sun, Apr 8, 2012 at 2:05 PM, jonathan KHAO <jonathankhao_at_gmail.com> wrote:
> Hi,
> I'm trying to steer a dummy atom to move around a group of molecules (small
> aggregates like micelles) but I can't manage to keep control over it as it
> rapidly accumulates speed from the persistent forces.
> Are there any tcl commands (or any other solutions) that allow to remove the
> forces on a "mouse release" ?

the mouse interface to IMD was meant for debugging.

since the mouse mechanism works by a click-hold-drag-release
sequence, you should be able to reset the forces by a single
click on the atoms to which you added a force vector. that
can be a bit cumbersome, in case your atomic motion is
very noisy/jumpy.

axel.

>
> Thanks in advance,
> --
> Jon.
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.