[gmx-users] Plotting Density Over Time?

[Justin Lemkul]

On 6/22/17 9:53 AM, Sanim Rahman wrote:
> Hello everyone,
> 
> I am curious if there is a feature in g_density that will allow me to
> calculate the density of my system at every single frame. I am hoping to
> track density change over time to calculate membrane thickness (peak to
> peak of electron density profile) and its standard deviation.
> 

Use trjconv to dump out separate frames, then run gmx density in a loop over 
each in a simple shell script.

-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 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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