[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

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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
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University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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