In Step 2, Make INFILE and Run cluster are run.
INFILE is a text file
listing the trajectory endpoints files. The cluster program starts with N
trajectories (clusters) and keeps pairing
similar clusters until all the trajectories are in one cluster. To determine the final number of clusters, you
need to decide when “different” clusters are paired, and save the list of trajectories in each cluster just before
that happens. A text listing, output by the Run button,
suggests the possibilities and Display plot depicts them.
In Step 3, enter the final number of clusters, and Text creates a file
CLUSLIST_N (N is the
number of clusters), which is a text file listing the trajectories in each cluster. Plots showing the
cluster-means (top left) and trajectories in each cluster (1, 2, 3, 4, and 5 below) may be created.
Additional final number of clusters may be specified.
The Archive button moves all files to the Archive folder. The Help
button contains more information.