Respected Sir, 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. reagrds Sangeeta
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php

