[gmx-users] (no subject)
jalemkul at vt.edu
Sat Sep 14 23:56:21 CEST 2013
On 9/14/13 7:31 AM, mabbasi wrote:
> Dear All users
> I used OPLS ff for my system.
> After md production I get this error:
> Fatal error:
> A charge group moved too far between two domain decomposition steps
> This usually means that your system is not well equilibrated.
Justin A. Lemkul, Ph.D.
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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