clustering analysis on molecular dynamics data:

[Former user]

I have a few questions regarding clustering analysis on molecular dynamics data: Is it possible to obtain the structures (pdb) of the cluster centers without using 'colMeans' ?

[Lars Skjærven]

how about function filter.rmsd() ?

[lylia]

THANK YOU FOR YOUR ANSWER. But I don't use clustering that based on RMSD ,I use clustering that based on PCA.

[Barry Grant]

See Issue #326 Where example answer is provided.