[gmx-users] Silica monolayer with Martini force field

RAMON REIGADA SANZ reigada at ub.edu
Tue Oct 28 21:22:57 CET 2014

Hi Gromacs users,

   I want to simulate a monolayer of alkane molecules attached to a solid glass surface. I wonder if anyone has experience with these kinds of systems with the Martini force field. My idea is to add water to the surface and I am interested in what happens between water and the fixed alkanes, so I will freeze the solid beads and the first carbon of the alkane chain.
My question is what kind of beads would correspond to glass (silica) surface? Somewhere I found that 'Na' beads could be used to simulate a Pt surface, but I do not know if this would work in my case.
Did anyone has experience simulating solid surfaces with Martini?

  thank you,


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