Hi
I am trying to run cpptraj for cluster analysis
Script that I am following is
trajin Apo_aMD_100_300ns.crd.gz
cluster out testcluster representative pdb \
avgout MyAvg.pdb avgfmt pdb \
averagelinkage clusters 10 rms .CA sieve 10
But all the time I am getting an error
Error: [cluster] Not all arguments handled: [ pdb ]
But when I am running same script by removing pdb
trajin PRMT7_Apo_aMD_100_300ns.crd.gz
cluster out testcluster representative \
avgout MyAvg.pdb avgfmt \
averagelinkage clusters 10 rms .CA sieve 10
it seems to be running.
I want to know that I am on correct path or not?
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Received on Tue Jun 28 2016 - 14:00:02 PDT
