[gmx-users] Non-periodic COM Pulling
jalemkul at vt.edu
Fri Jul 14 12:29:53 CEST 2017
On 7/13/17 1:56 PM, Daniel Kozuch wrote:
> It was my understanding that direction-periodic would not allow for the NPT
> ensemble (which I would like to use if possible, and why I did not use it
> in the first place). Is there a way around this?
Not that I'm aware of.
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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