[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

-- 
==================================================

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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