[gmx-users] g_cluster rmsd definition

Linda fuwei at adrik.bchs.uh.edu
Thu Jun 24 23:15:40 CEST 2004


Hi, all,

	I would like to know the exact definition of two RMSDs in the cluster.log file.

cl. | #st rmsd  | middle rmsd | cluster members
  1 | 1251 .221 |   6498 .109 |   6386   6474   6476   6478 ......

i.e. does 0.221 stand for the biggest rmsd of a structure with the middle structre in cluster 1?
does 0.109 stands for the rmsd between structure 6498 & original structure?

Thanks,

Linda







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