[gmx-users] regarding xtc file size

[Justin Lemkul]

On 12/9/15 12:17 PM, Nikhil Maroli wrote:
> previous post link:
> https://www.mail-archive.com/gromacs.org_gmx-users@maillist.sys.kth.se/msg16291.html
>
> 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

-- 
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

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