[gmx-users] Modifying force field for graphene

[‪Mohammad Roostaie‬ ‪]

Thank you very much Alex.
Mohammad

      From: Alex <nedomacho at gmail.com>
 To: gmx-users at gromacs.org; ‪Mohammad Roostaie‬ ‪ <mohammad.r0325 at yahoo.com> 
 Sent: Tuesday, 11 July 2017, 22:54:56
 Subject: Re: [gmx-users] Modifying force field for graphene
   
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