Hi,
I'm unable to reproduce your problem using a test system of 45066
atoms, 1000 frames, with input:
trajin run0.nc
strip :WAT
vector vector_1 :1-155 principal out vector_3.dat
If you have multiple versions of ptraj, are you certain you are
running the patched AT1.5 version? At the very top of ptraj output
there is a line like this:
-/- Executable is: "/opt/Amber/AT1.5/bin/ptraj"
Does it show the correct binary? If no path is shown make sure that
the ptraj in your path is the right one (e.g. by running 'which
ptraj'). If you're sure its the completely patched ambertools 1.5
ptraj that is segfaulting I would need some more details so I can try
and reproduce the problem. Could you let me know some more about your
system (# atoms, # frames), as well as the entire ptraj input and
output? Thanks!
-Dan
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Received on Tue Feb 21 2012 - 22:00:02 PST
