[gmx-users] Error in system_inflate.gro coordinates does not match

[Justin Lemkul]

On 7/28/14, 1:42 AM, RINU KHATTRI wrote:
> hello everyone
> i used editconf
>
> editconf -f protein.gro -o protein_newbox.gro -box (membrane box
> vectors) -center *x y z*
>
> but in z axis i have been increased box size 10.0000 (previously it is
> 6.23910   6.17970   6.91950
> http://s48.photobucket.com/user/mittukhattri/media/ri_zpsbb51fbd7.png.html?filters[user]=140927090&filters[recent]=1&sort=1&o=0
>
> this is the em.gro first minimization image
>
>   mixing of lipid and protein molecule
>
> kindly help
>

I don't see any evidence of a problem.

-Justin

-- 
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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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