[gmx-users] electron density by gmx density

Justin Lemkul jalemkul at vt.edu
Thu Jul 14 12:15:45 CEST 2016



On 7/14/16 6:27 AM, amitbehra at chemeng.iisc.ernet.in wrote:
> Hello Users,
> I was wandering how can we calculate the electron density with the help of
> gmx density. how to write the " -ei [<.dat>] (electrons.dat) "
>

There is an example in the help information.

-Justin

-- 
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

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