[gmx-users] editconf -box a b c

Justin Lemkul jalemkul at vt.edu
Wed Mar 19 22:19:25 CET 2014

On 3/19/14, 5:12 PM, ehs wrote:
> Hi gmx users,
> I try to build a cubic domain with rectangular cross-section (different a, b
> ,c). I have used -box a b c with editconf, but I found that only first
> number, a, matters and volume of box is equal to a^3 with any arbitrary
> values of b and c. Does anybody know why? Is there any way to make a cubic
> box with different length along different direction?

By definition, all edges of a cube are the same length.  What you're asking to 
do is not possible.  What you want is a rectangular box.



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


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