[gmx-users] what is a "central structure"

[Yun Shi]

Hello everyone,

I am using g_cluster with gromos method to do some clustering, and by
default, -cl writes the central structure of each cluster obtained.

So I wonder what 'central structure' mean? Assuming that I cluster based on
RMSD values relative to the starting conformation, and that I then get a
cluster with 3 structures (RMSD = 0.1, 0.2, 0.3 nm, respectively), should
the structure with RMSD = 0.2 nm be the "central structure"? What if there
are 4 structures in this cluster, with RMSD = 0.1, 0.2, 0.3, 0.4 nm,
respectively?

Thanks for any explanation,
Yun
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