[gmx-users] k- means clustering
Mark.Abraham at anu.edu.au
Wed Mar 25 09:04:02 CET 2009
sarbani chattopadhyay wrote:
> Hi everyone,
> I want to know whether anyone has done k-means
> clustering using gromacs
> I saw that one program has been contributed to do k-means clustering
> using "g_cluster".
> Has anyone tried to use this program to do such clustering.
I don't know. Providing a link would be a good start for people to know
what you are talking about.
> I would also like to know the correct command option to cluster
> conformations based on
> "pairwise rmsd" using "g_cluster".
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