[gmx-users] DPPC replication error
jalemkul at vt.edu
Thu Nov 20 19:49:28 CET 2014
On 11/20/14 11:53 AM, Priya Das wrote:
> Dear All,
> I have replicated 128 DPPC lipid bilayer using genconf -box 2 2 1.
> On viewing the structure in VMD i can find 512 lipid molecules. But after
> inflate. pl step, i see my protein is centered in the box but there are
> only 128 lipid molecules.
> Please help
It's impossible to help without your exact sequence of commands, start to
finish. There's no way for molecules to simply disappear. Something had to
have gone wrong along the way, but you haven't given us any relevant information
to be able to say where.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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