[gmx-users] g_cluster analysis
sapnauser365 at gmail.com
Mon May 23 09:03:37 CEST 2016
I am trying to use g_cluster protocol to get representative snapshots of
the simulations. I have concatenated 9 set of simulations and run g_cluster
for the same. The result shows a total of 198 clusters.
Is this correct?
Following is the command I have used:
g_cluster -s models.gro -f concatenated.xtc -dm rmsd-matrix.xpm -o
clusters.xpm -sz cluster_size.xvg -clid cluster-id-over-time.xvg -cl
all_clusters.pdb -cutoff 0.2 -method gromos
Thanks in advance.
Sapna Mayuri Borah
c/o Dr. A. N. Jha
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