[gmx-users] difference in potenital energy on desktop and server run

Justin Lemkul jalemkul at vt.edu
Thu Feb 27 14:41:35 CET 2014

On 2/27/14, 8:32 AM, gupta.rakesh082 wrote:
> Hi Justin
> The bilayer is full solvated. It has 128 ceramide and 5120 water molecules
> (40 water molecule per ceramide).
> I ran same simulation on my desktop machine it is working properly,
> properties such as potential energy and area per lipid converse very nicely.
> Is there any problem with server or running on multiple thread.

That's why I asked for further information in my last message.  Please provide it.



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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