[gmx-users] Modifying force field for graphene
jalemkul at vt.edu
Tue Jul 11 19:05:50 CEST 2017
On 7/11/17 10:34 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?
What do you find when investigating the literature on the use of OPLS for
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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