[gmx-users] Question for bdc = xy
jalemkul at vt.edu
Fri Mar 21 13:26:29 CET 2014
On 3/20/14, 11:51 PM, ookami a wrote:
> Dear all:
> I'm trying to set up a bdc only with xy, so I edited my mdp file with
> changing the bdc =xyz to bdc = xy.
> However, I got a error message which is "Can not have Ewald with pbc=xy"
> Anyone know how to solve it?
Per the manual, you can't use an Ewald summation method or pressure coupling in
this case, unless you are using walls.
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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