[gmx-users] Question about mdrun -rerun
jalemkul at vt.edu
Mon Jul 27 23:45:14 CEST 2015
On 7/27/15 5:43 PM, Ian Kotthoff wrote:
> Thank you Justin,
> Is there a way that I can change the pullx calculation frequency? The
> number of frames I have saved does not provide enough resolution for
> results to be drawn.
Nope, you can't calculate anything from frames that weren't saved.
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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