[gmx-users] Dihedral energy map along two eigenvectors to actual conformations

[Ali Naqvi]

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. :)

Cheers,
Ali
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101028/307ef2a2/attachment.html>