[gmx-users] Graphene sheet topology

[Mostafa Fakhraee]

Hi,

Does anyone know how to build a graphene topology based on OPLS-AA force
field?

Also is it possible to let me know how can I determine the improper
dihedral of graphene because graphene sheet has a lot of dihedrals and it
is difficult for do that manually?

-- 
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 Best Regards,
 Mostafa Fakhraee
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 PhD Student of Physical Chemistry,
 Department of Chemistry,
 Sharif University of Technology, Tehran, Iran.
 Official Email: mostafa_fakhraee at ch.sharif.ir <mostafa.fakhraee at yahoo.com>
 Email: mostafa.fakhraee at yahoo.com
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