[gmx-users] How to do cluster analysis in the essential space after PCA?

Zhenting Gao zhentg at 163.com
Mon Jan 31 11:34:28 CET 2005

Hi  gmx-users ,

After PCA of the trajectory, a 2D(3D) graph with the first 2(3) eigenvectors with the largest eigenvalue is obtained.
Then how should I cluster on this essential space?
What exactly software will be chosen?


Yours sincerely,      
Zhenting Gao      
zhentg at 163.com       

Drug Discovery and Design Center,      
Shanghai Institute of Materia Medica,      
Chinese Academy of Science      
P.R. China     

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