[gmx-users] changing the code just a little bit (g_density)
Marcelo A. Carignano
cari at purdue.edu
Mon Nov 21 14:45:13 CET 2005
it would be great if that's possible but I don't see how.
I see that I can shift the system by a vector using trjconv -shift
by this shift is the same for all the frames.
My reference atom is moving too.
Could you please explain more
On Mon, 2005-11-21 at 11:37 +0100, X.Periole wrote:
> On Fri, 18 Nov 2005 13:27:06 -0500
> "Marcelo A. Carignano" <cari at purdue.edu> wrote:
> > Dear Gromacs users,
> > I need to modify g_density so I can calculate the
> >density profile in
> > my system, but shifting the z coordenate so that one
> >particular atom
> > stays fix. Let's call "A" to this atom, then I need to
> >do (z-zA)
> > before calculating to which slice the current atom
> >belongs to.
> What about shifting your trajectory before using
> Make the atom fix using trjconv ...
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