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On 12/24/2011 10:40 PM, leila karami wrote:
<blockquote
cite="mid:CAA=8PuttDBsubU4U2X0tn-LGhqJqiES6qyNCHOOSCHDqYumo2A@mail.gmail.com"
type="cite">Dear gromacs users<br>
<br>
I would like to calculate the standard deviation (as the error
bar) for rmsd.xvg file.<br>
<br>
If rmsd.xvg was used in excel software, it gives a graph as rmsd
vs time. I want to have a file containing rmsd vs time<br>
<br>
and error bar relating to rmsd values such that after plotting by
excel it give rmsd vs time and error bar.<br>
</blockquote>
<br>
The RMS deviation in atomic coordinates between a reference and
other state is an exact quantity. There's no statistical error to
plot.<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAA=8PuttDBsubU4U2X0tn-LGhqJqiES6qyNCHOOSCHDqYumo2A@mail.gmail.com"
type="cite"><br>
I have tried using g_analyze:<br>
<br>
In this tool, is -av mandatory?<br>
<br>
g_analyze -av average.xvg -errbar stddev -f rmsd.xvg<br>
<br>
It gives me only a average.xvg file and at the end<br>
<br>
<br>
std. dev. relative deviation of<br>
standard
--------- cumulants from those of<br>
set average deviation
sqrt(n-1) a Gaussian distribition<br>
cum. 3 cum. 4<br>
SS1 3.215937e-01 5.472631e-02 7.739468e-04
-0.296 0.083<br>
<br>
<br>
how to access error bar values?<br>
<br>
any help will highly appreciated.<br>
<br>
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<br>
</blockquote>
<br>
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