I believe 2D liquid is a liquid film. If so, none of your options will work.
You need to surround the liquid film with a layer of vacuum and simulate NVE ensemble. Dr. Vitaly V. Chaban Виталий Витальевич ЧАБАН On Wed, Oct 15, 2014 at 6:06 AM, Cai <[email protected]> wrote: > Hi users, > > I am trying to simulate 2-d liquids interacting with simple potential like > Lennard-Jones potential. > > Can it be done by specifying "pcoupletype = semiisotropic" in the .mdp > file? I mean enforcing a normal pressure in x-y direction while very high > pressure in z direction to constrain the motion in z. > > Or do I need to define walls in the z direction? > > Does anyone have similar experience? Your help are highly appreciated! > > > Cai > -- > 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 [email protected]. -- 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 [email protected].
