[gmx-users] My box size canges somehow

[Justin Lemkul]

On 4/9/14, 7:44 AM, Vytautas wrote:
> I made my box with Amber xleap command:
> solvatebox complex TIP3PBOX 15
> So it is bug in xleap?
>

No clue.  All software has its own internal assumptions for how things like 
boxes, box origin, etc are treated.  All I can tell you is that simply opening 
your em.gro in VMD (or whatever your favorite program is) and displaying the 
unit cell clearly shows void space.

-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

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