Re: applying constant force only within certain part of simulation cell?

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Mar 03 2016 - 15:27:35 CST

Hi!

This should be doable with TCL Forces
<http://www.ks.uiuc.edu/Research/namd/2.11/ug/node50.html> and perhaps also
with Tcl Boundary Force
<http://www.ks.uiuc.edu/Research/namd/2.11/ug/node51.html>s (more
efficient).

Best,
Ajasja

On 3 March 2016 at 21:00, Olya Kravchenko <ovkrav_at_gmail.com> wrote:

> Hi all,
>
> my system is a cubic cell filled with argon atoms. Is there a way to
> apply a constant force (say, in Z direction) at each atom *only* when
> they pass through an XY slab of certain thickness near the middle of
> the cell?
>
> Thanks in advance!
>
> P.S. I searched tutorials and archives to no avail; if this was
> discussed before, I'll appreciate if someone helps me pinpoint what
> I'm missing!
>
> Olga
>
>

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