[gmx-users] Graphene simulation, regarding

RAHUL SURESH drrahulsuresh at gmail.com
Tue Feb 20 08:24:52 CET 2018

Dear all,

Greetings. I want to perform a simulation of bilayer reduced graphene oxide
in opls ff. The difficulty is to generate the topology file for the bilayer
graphene oxide. Andrea Minoia's tutorial gives information only about the
planar graphene sheets and nanotubes. How can I develop a valid topology
for a bilayer graphene?

*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

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