[gmx-users] Different cutoffs for different interactions?

[Justin Lemkul]

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

-- 
==================================================

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
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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