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

Ali Naqvi mnaqvi at ryerson.ca
Wed Oct 27 22:17:05 CEST 2010

Hi all,
I have been following the method outlined by Yuguang Mu to generate the
energy landscape along two eigenvectors. There are four minima that I wish
to explore. I can determine the points along the vectors that correspond to
the conformation, but am unsure of how to use those to obtain the
corresponding pdb as was shown in the paper:

Mu, et al. Energy Landscape of a Small Peptide Revealed by Dihedral Angle
Principal Component Analysis, 2005.

Any insight?

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