[gmx-users] how to obtain error bar for plotting?

leila karami karami.leila1 at gmail.com
Sat Dec 24 12:40:15 CET 2011


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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