[gmx-users] CLUSTERING:Number of clusters as function of time.
sridhar at www.cdfd.org.in
Fri Oct 31 06:23:00 CET 2003
I wanted to know the number of conformations the protein has taken in my
MD run trajectory. For this I am clustering the snapshots using g_cluster.
I mainly wanted to know how the number of clusters varies with time.
In the result file (clust-id.xvg), I found the number of clusters increase
and decrease. To my knowledge, the number of clusters should steadily
increase with time and then reach a plateau where the system visits no
more new conformations.
Could any body explain why the number of clusters
show fluctuations of high and low values instead of gradually increasing
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