[gmx-users] Translational Pulling
jalemkul at vt.edu
Fri Apr 22 23:29:43 CEST 2016
On 4/22/16 5:27 PM, Ray Chao wrote:
> Hi, Justin,
> Thanks for your response. I also tried to pull with absolute reference
> group. But it didn't work either.
> I saw in the manual that freezing means the position will no longer be
> updated. So technically, you cannot pull frozen atoms, right?
That's what I said in my last reply, yes. You can fix one group or the other,
not both, which is what you were trying to do based on those .mdp settings.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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