Dear,
i want to make a free energy landscape with respect to Rg and RMSD. First i
get the rmsd.xvg by g_rms and then get the Rg.xvg file by g_gyrate. And the i
merge the rmsd value and Rg value into one file with two column, then i use the
g_sham command to got the free energy landscapes. does it right or not?
i have seen dihedral PCA from your website (
http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA?highlight=landscape),
should i use the g_covar and g_anaeig commands to get the free energy landscape
with respect to Rg and RMSD? if yes, please tell how to do it , thank you very
much!
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