Read The manual portion on covariance analysis, g_covar and g_anaig, it is pretty descriptive and answeres all your questions.
Gesendet: Freitag, 22. November 2013 um 19:20 Uhr
Von: "Shine A" <shin...@iisertvm.ac.in>
An: gmx-us...@gromacs.org
Betreff: [gmx-users] cluster-PCA
Von: "Shine A" <shin...@iisertvm.ac.in>
An: gmx-us...@gromacs.org
Betreff: [gmx-users] cluster-PCA
Sir,
I did 200 ns MD simulation. Now I want to project conformations from
g_cluster onto principal component space.How can I do this?
Thanks in advance......................
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I did 200 ns MD simulation. Now I want to project conformations from
g_cluster onto principal component space.How can I do this?
Thanks in advance......................
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