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><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>