> cluster out test-out representative pdb average pdb averagelinkage
> clusters 5 mass rms :1-125 .CA
ptraj does not automagically read across line boundaries; you need to
extend the line as per unix, with \
cluster out test-out representative pdb average pdb averagelinkage \
clusters 5 mass rms :1-125 .CA
...otherwise it looks like two cluster commands. The output should have
shown that it choked on trying to read the second line.
--tom
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Received on Thu Jun 02 2011 - 07:00:02 PDT
