[gmx-users] Simulation of Glass Surfaces?

AJ Lanphere ajlanphere at gmail.com
Mon Jul 21 18:33:39 CEST 2014

Hello all,

I am using GROMACS to simulate the melting and annealing of glasses.
Currently I've been working only with simulations of the glass bulk, with
periodic boundaries so the glass is connected on all sides. I was wondering
if GROMACS can be used to simulate solid surfaces, because I have not seen
any methods for doing so in the manual and a brief literature search has
also not returned any useful references.

Any advice would be greatly appreciated.

AJ Lanphere

Graduate Student Researcher
Inamori School of Engineering, Alfred University
1 Saxon Drive, Alfred, NY 14802

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