[gmx-users] Regarding error after equilibration of protein in membrane using g_membed
jalemkul at vt.edu
Thu Feb 20 22:49:31 CET 2014
On 2/20/14, 9:47 AM, shalini.s at iitg.ernet.in wrote:
> I am attaching the membedded.gro which was created using g_membed...Kindly
The box is much too small in the z-direction. Your protein is overlapping with
itself, leading to the crash. You may need a larger membrane patch, but you
definitely need to increase the box size along z.
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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