[gmx-users] Different cutoffs for different interactions?
jalemkul at vt.edu
Thu Sep 25 00:34:00 CEST 2014
On 9/24/14 3:54 PM, Aranha, Michelle wrote:
> Hi all,
> Is it possible to use different cut-off radius values for different pair (atom-atom) interactions in GROMACS. I understand that this is not recommended but I need to try this for my system.
You could probably achieve this with tabulated potentials, but no, it is not
possible to define different cutoffs in this way in the .mdp file or anywhere else.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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