Dear all, I am trying to set up an all-atom MD simulation to investigate the interaction between lipid bilayer and infinite substrate of graphene or graphene oxide. The edge effects of graphene and graphene oxide are not what I am concerned. The lipid bilayer is placed on the substrate parallelly in the x-y direction.
I know the pressure coupling method of "surface-tension" can control the surface tension in the x-y plane. But it is only for the whole system. The lipid layer and graphene substrate are both infinite in the x-y direction. Can I control the pressure of lipid bilayer and infinite substrate separately? Otherwise, should I change the lipid bilayer to a finite one but still with zero surface tension, or change the graphene substrate to a finite one but without edge effects? How can I remove the edge effects from a finite graphene or GO layer? Do you have any suggestions? I will very appreciate that. Looking forwards to your reply. Best, Jason -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
