[gmx-users] Dihedral energy map along two eigenvectors to actual conformations
mnaqvi at ryerson.ca
Thu Oct 28 17:18:24 CEST 2010
Found the answer, thanks to personal communication by Dr. Yuguang Mu. Here
it is for anyone interested.
Each point on the energy landscape corresponds to a time. This time can be
tracked simply by using g_anaeig and using -proj to assign a file name and
-first, -last to assign eigenvectors of interest. This will generate a file
that will show the values of the eigenvectors as a function of time.
Subsequently, one can find the time at which the eigenvector
values occurred by finding them as a point on the landscape and matching it
to the eigenvectors vs time file.
Hope my convoluted thinking made sense. :)
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