Dear gromacs users
I would like to calculate the standard deviation (as the error bar) for
rmsd.xvg file.
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
and error bar relating to rmsd values such that after plotting by excel it
give rmsd vs time and error bar.
I have tried using g_analyze:
In this tool, is -av mandatory?
g_analyze -av average.xvg -errbar stddev -f rmsd.xvg
It gives me only a average.xvg file and at the end
std.
dev. relative deviation of
standard
--------- cumulants from those of
set average deviation
sqrt(n-1) a Gaussian distribition
cum. 3 cum. 4
SS1 3.215937e-01 5.472631e-02 7.739468e-04
-0.296 0.083
how to access error bar values?
any help will highly appreciated.
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