On Tue, 2014-02-25 at 13:52 -0300, George Tzotzos wrote:
Ah, I forgot...
> Error occured on rank 0.
This simply states that the error occurred on the first processor. So
as Billy mentioned, any errors would be printed to the
_MMPBSA_complex_gb.mdout.0 (where 0 comes from the rank here) file.
In this particular case I think MMPBSA.py communicates with cpptraj
through pipes, so no errors are ever written out (and MMPBSA.py doesn't
write an input file for this).
All the best,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Feb 25 2014 - 12:30:09 PST
