[gmx-users] query about generation of 2D histogram
sangeeta0983 at yahoo.co.in
Thu Apr 29 13:58:23 CEST 2010
I am trying to generate free energy landscape by using g_sham,From the archive I came to know that one .xvg file needs to be prepared containing three columns of data, first one is time, 2nd and 3rd one are the coordinates of interest, I used the command
g_sham -f *.xvg -ls --histo -ngrid 40 -nlevels 30
Varying the ngrid I am getting gibbs.xpm file containing squares of different sizes.
But in neither cases I am getting the histogram. I will be highly obliged if you kindly let me know how to get the histogram.I need delG values that is calculated from the equation delG=-RTln(k), where K is the joint probability of two variables.I am also eager to know how to generate the contour map from those data.
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