Hi,
I have a query regarding "g_cluster" output.
I gave the command
g_cluster -f ../const_temp_20ns_0.pdb -s ../../md_0.tpr -sz -tr -cl -wcl 25
-cutoff 0.2
It is written in the "clusters.log" file that the middle structures of each
cluster is written in the
"clusters.pdb" file.
How is this "middle structure" obtained ? The coordinates of the middle
structure do not match
with any of the structures in that particular cluster. Is the " middle "
structure same as the
"average " structure. if so what is the criteria to get the "middle" structure.
Any suggestions regarding this will be very helpful.
Thanks in advance,
Sarbani
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