[gmx-users] Modifying force field for graphene
nedomacho at gmail.com
Tue Jul 11 20:24:58 CEST 2017
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.
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
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