I understand that in protein MD simulations, the first 2 eigenvectors are usually taken into consideration since it should account for most of the protein’s motions. However, I would like to know how can I plot a graph of Eigenvectors against Positional Fluctuations so as to justify for my simulation that 2 principal components is indeed adequate to account for the protein’s motion?
Thanks.
Regards
Yip Yew Mun
Graduate, PhD
Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
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Received on Fri May 16 2014 - 21:30:03 PDT
