[gmx-users] Simulation of Glass Surfaces?

Justin Lemkul jalemkul at vt.edu
Wed Aug 6 16:32:00 CEST 2014

On 8/6/14, 8:28 AM, AJ Lanphere wrote:
> I suppose I should have mentioned I'm using Gromacs 4.6.5. That section of
> the manual covers angular restraints, is that where I should be reading?
> Sorry for asking potentially inane questions, I'm not very experienced with
> this sort of thing.

You need 5.0 for flat-bottom potentials.



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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