Hello everybody, I am a new user to Gromacs and am working on lipid simulations with the Martini forcefield. The Martini website provides a pre-equilibrated DPPC bilayer, and I was wondering if there were any told that would allow me to convert this bilayer into a monolayer. For periodic boundary conditions to work, I was thinking of a stack that would go like
Water Lipid Heads Tails Vacuum Tails Lipid Heads Water Is there any way to split apart the provided bilayer using some combination of Gromacs tools and introduce a space of at least 10 nm which is apparently the distance needed for the tails to not interact with each other? If there is no way of simply splitting the bilayer, what would you recommend for creating a simulation of lipid monolayers from a single DPPC molecule? I feel like I could use genconf but it might require too much equilibration. I am hopeful that there is some way of simply working with the provided bilayer. Any help would be appreciated! -- View this message in context: http://gromacs.5086.x6.nabble.com/Creating-a-monolayer-from-Martini-bilayer-tp5008740.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
