[gmx-users] Modifying force field for graphene

[Alex]

The answer is yes, OPLSAA does need to be slightly edited for graphene 
and nanotubes to work, assuming you find good parameters for graphene. 
Google is strong with you, use it.

Alex

On 7/11/2017 8:34 AM, ‪Mohammad Roostaie‬ ‪ wrote:
> Hi All,
> I want to simulate graphene by using OPLS_AA force field. Does this force field need any modification for graphene simulation?If yes, do you have any link tutorial for the modification?
> Kind regards,Mohammad