[gmx-users] comm-grps

[Alex]

Hi all,
Using umbrella sampling and WHAM I am calculating the PMF of a single
molecule (A) diffusion from water into a thin film made out of another
molecule. The thin film is supposed to be an infinite film along X-Y (or
have periodicity laterally),  also the pbc for the whole system is ON for
all three directions pbc = xyz.
The reaction coordinate is the film_com to A_com along Z axis.

By default  the "comm-mode = Linear" for the whole system, however the thin
film translate during the PMF simulation in each window causing some
artifact in the resulted PMF.

Now, for such system my question is that if I am allowed to use:
"comm-grps = thin film"
and also
"comm-mode = Linear-acceleration-correction" ?

Thank you
Alex