[gmx-users] principal component analysis

[yoshizawa006 at yahoo.co.jp]

Hello,

I would like to use PCA analysis in the dihedral space.

Despite having read the topics related to this issue in the GROMACS page I am not quite sure how to accomplish this :-)

The -or option in the g_angle (version 3.3) seems not to be working. I am already using an index file as sugested in the archives.

Best wishes     

Maki Yoshizawa

 





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