[gmx-users] changing the code just a little bit (g_density)

[Marcelo A. Carignano]

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

Marcelo.

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 
> g_density?
> Make the atom fix using trjconv ...
> 
> Best
> XAvier
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