[gmx-users] g_cluster

[Kay Gottschalk]

Hi there,

I am using

g_cluster -f fitted_traj.xtc -s full -n -minstruct 75 -cl -av -method 
gromos -cutoff 0.125 -wcl 4

to cluster my trajectory. It seems to work fine, but I don't quite 
understand the rmsd-clust.xpm. I think there might be a bug in the 
coloring. Two distinct clusters, cluster 3 and cluster 4, are both 
colored blue. In both the pdb-files and the cluster.log file, the 
clusters are distinct, but in the .xpm file, there have the same color. 
Any idea?
Thanks,
Kay.