[gmx-users] g_cluster or g_clustsize

Seera Suryanarayana palusoori at gmail.com
Fri Jul 29 07:19:24 CEST 2016


Dear Gromacs Users,

I would like to do clustering of my trajectories. When I look into gromacs
tool for clustering, I got g_cluster which is based on the RMSD and the
other one is g_clustsize which computes the size distributions of
molecular/atomic clusters in the gas phase. Mine is protein in solvent
system. Here I got confusion whether I use the g_clustsize. Which one I
have to use, either g_cluster or g_clustsize? Kindly suggest me.

Thanks in Advance,
Surya
Graduate student
India.


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