[gmx-users] k- means clustering

Mark Abraham 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
> 3.3.1.
>   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".

g_cluster -h


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