Dear GROMACS users, Currently I am doing umbrella sampling for adsorption of molecule on solid surface. I have frozen the coordinates for solid surface and pulling the molecule towards the surface.
I would like to know that while using options pull-geometry = distance and pull-dim = N N Y is same as the options pull-geometry = direction and pull-vec = 0 0 1? I am confused regarding the bias potential applied on the molecule, whether it is applied in all x, y, z coordinate of molecule or only in z coordinate of molecule for the above two scenarios? Thanking in advance for the help. Regards Meena Singh -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
