On Fri, Nov 9, 2012 at 9:31 AM, Miguel Ortiz Lombardía <
miguel.ortiz-lombardia.afmb.univ-mrs.fr> wrote:
> Hello everyone,
>
> After lengthy calculations to get an estimation of the entropic term by
> the normal modes approximation via the MMPBSA.py.MPI script I get this
> error:
>
> AttributeError: 'list' object has no attribute 'stdev'
> Error occured on rank 0.
> Exiting. All files have been retained.
>
I have never seen this error before. Can you package up all of the
_MMPBSA_* files into a tarball along with the requisite topology files and
send them to me off-list so I can take a look?
On the bright side, once this issue is debugged, you can just use
"-rewrite-output" to write the output file without having to re-run the
calculation.
Thanks!
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Nov 09 2012 - 07:30:03 PST
