[gmx-users] How to build a topology file of Gromacs for a system contains two graphene sheet?

Mostafa Fakhraee fakhraee.mostafa1 at gmail.com
Wed Jan 17 19:33:05 CET 2018

I want to create a topology. top file of gromacs package for a system
containing two graphene sheet. Does anyone know how can I make that?
Also, I have some questions as follows:
1- Is it need to assign [pair] directive for such system?
2- Are these two sheets should be considered as one compound and two
residues or not?

 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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