[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
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 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
Sarbani
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