[gmx-users] Graphene sheet topology

Mostafa Fakhraee fakhraee.mostafa1 at gmail.com
Sat Mar 17 19:30:40 CET 2018


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

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?

 Best Regards,
 Mostafa Fakhraee
 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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