[gmx-users] xtc file size is in the order of MB's anything wrong?On GPU

Justin Lemkul jalemkul at vt.edu
Wed Dec 9 17:34:37 CET 2015

On 12/9/15 11:08 AM, Nikhil Maroli wrote:
> Dear all,
> Normally xtc file sizes care coming in the order of GB's but in case of my
> simulations -running on GPU
> it is around 200MB, is there anything wrong? ,anything im missing?

Depends entirely upon the size of the system, output frequency, groups chosen 
for saving, etc. There is no one-size-fits all rule about how big any file 
should be without knowing all of the above.



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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