Re: [AMBER] Normalizing histogram with CPPTRAJ

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 10 Feb 2016 10:25:40 -0700

Hi,

Try the 'normint' option. It is unfortunately misspelled in the manual
as 'nomrint' (section 29.11.9 'hist', page 599).. This will normalize
bin populations so the integral over the histogram is 1.0.

-Dan

On Wed, Feb 10, 2016 at 10:05 AM, anu chandra <anu80125.gmail.com> wrote:
> Hello Amber users,
>
> I am trying to use the 'hist' command in cpptarj to generate a normalized
> histogram. What I am expecting here is to convert the bin population to
> fraction of 1 ( i.e sum of bin population should be 1). For doing this, I
> have used hist command in the following way after reading the data,
>
> hist d1 bins 80 norm out hist.dat
>
>
> Unfortunately, the populations have shown value higher than 1 as shown in
> the attached figure.
>
> How can I normalize the bin population to the fraction of 1?
>
> Any help would be highly appreciated
>
> Many thanks
> Anu
>
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>



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Feb 10 2016 - 09:30:05 PST
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