[gmx-users] k- means clustering

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Wed Mar 25 08:41:53 CET 2009

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 would also like to know the correct command option to cluster conformations based on 
"pairwise rmsd" using "g_cluster".

Any suggestion will be extermely helpful.

Thanks in advance
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