[gmx-users] Position restraint coordinates are missing
Justin Lemkul
jalemkul at vt.edu
Wed Apr 9 04:10:45 CEST 2014
On 4/8/14, 10:02 PM, Yujie Wang wrote:
> Thank you very much, Justin,
>
> that is to say: I should remove the "Define=-Dposers " in my .mdp
> files when I create the new .tpr file without position restraints with the
> .top .gro and .mdp files?
>
Yes.
-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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