My name is Williams. I am a Biochemistry student. I have done QH entropy calculation using g_anaeig, but I found an old perl script at GROMACS web site to do the same. The problem is that when I calculate entropy for the loops of my protein the results are the same using g_anaeig or the old perl script, but when I compare the entropy calculated through both methods for my entire protein the results diverges in one order of magnitud and I give to the script the same eigenvalues obtained by g_covar (g_anaeig uses the eigenvectors). Please, help me. Thanks
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