[gmx-users] Flat-bottom potentials

[Justin Lemkul]

On 4/1/14, 5:52 PM, Andres Ortega wrote:
>   Dear Gromacs Users,
>
> I was wondering if you  know how to implement  or modify the gromacs code in
> order to do a flat-bottom quadratic potential in the xy plane in order to
> restraint a molecule in a cylinder?
>

Flat-bottom position restraints have been implemented for a long time now; the 
feature is available in either of the 5.0-beta releases.

-Justin

-- 
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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
http://mackerell.umaryland.edu/~jalemkul

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