Date: Tue, 2 Nov 2010 08:29:58 -0500
I am trying to use the cluster package in ptraj. My input file is shown below:
ptraj ph7wat.prmtop <<EOF
trajin ph7pcv.nc
strip :WAT
cluster out clustfile representative pdb average pdb means clusters 7 rms mass .CA
EOF
I am getting all of the output files except PairwiseDistances. Can anyone tell me a reason why I am not getting this output file?
John
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