VMD-L Mailing List

From: jonathan KHAO (jonathankhao_at_gmail.com)
Date: Sun Apr 08 2012 - 15:50:44 CDT

On 8 April 2012 21:12, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> 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.
>
> Indeed, I'm running a "small" system in Hoomd so it's quite fast and the
bead is impossible to track ...
Finally managed to do that by modifying the source code.
Turned out to be quite simple, just replaced all addPersistantForce calls
by addForce ones in vmd/src/PickModeForce.C

Thanks,

> 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.
> 

-- 
Jon.