[gmx-users] draw histogram

[Justin Lemkul]

On 1/5/16 1:01 AM, Sana Saeed wrote:
> hi gmx usersi am trying to plot histogram.xvg , but the graph isn't making any sense, or may be i dont understand it.in the gromacs tutorial from bevanlab (free energy calculations:methane) it says that we need to separate the data. how?
>

You'll need to write a script to separate the relevant histograms.  The 
histogram.xvg file unfortunately contains distributions of different data, so 
it's largely unintelligible unless separated properly.  I have a script laying 
around somewhere if you need it, just contact me off-list if you can't figure 
out your own solution (but it is a good programming exercise).

-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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