[gmx-users] regarding xtc file size
jalemkul at vt.edu
Wed Dec 9 19:43:27 CET 2015
On 12/9/15 12:17 PM, Nikhil Maroli wrote:
> previous post link:
> Total number of atoms =61151
> nstxout-compressed = 5000
> compressed-x-grps = System
grompp reports an estimate of total disk usage. Compare that with what you're
seeing, use gmx check, etc. It's wildly unlikely that something as fundamental
as output control is actually behaving incorrectly here.
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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