[gmx-users] My box size canges somehow

[Justin Lemkul]

On 4/8/14, 6:42 AM, Vytautas wrote:
> Here my simulation. I want constant box size over all runs: CA2_1.job,
> CA2_2.job and CA2_3.job
> But somehow it goes out of control and I get lager box in CA2_2.job.
> I give all files:
> https://www.dropbox.com/s/2tuodyynmd88ezo/ethane.pdb_wat.tar.bz2
> I would be thankful for explanation.
>

Nothing you've provided indicates that the box changes.

$ tail -n 1 em.gro
    3.79678   3.77960   3.83787
$ tail -n 1 nvt.gro
    3.79678   3.77960   3.83787

If there is something else you have observed that indicates more clearly what 
you're seeing, please provide it.

-Justin

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

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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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

==================================================