Hi Soumya,
The error which posted "No skew or curtosis when zero variance in moment"
comes from the mm_pbsa_statistics.pm. If you could attach your output files
from mm_pbsa.pl and your input files I might can offer greater insight into
what is exactly happening.
On Tue, Mar 23, 2010 at 4:21 AM, Soumya Lipsa Rath
<soumyalipsabt.gmail.com>wrote:
> Hello,
>
> I am trying to run MMPBSA to calculate the binding energy . Besides getting
> the frequently reported error
> "No skew or curtosis when zero variance in moment" . The values in my
> statistics.out file are high.
> I also tried running the examples (in the /src/mm_pbsa/Examples ) but I
> still get the same error. What can be done to rectify this error?
>
> (Strangely when I decrease the NFREQ value I get additional errors like
> vertex atom mismatch.)
>
> Regards,
>
> Soumya
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--
T. Dwight McGee Jr.
Quantum Theory Project
University of Florida
dwight.mcgee.gmail.com
"Problems cannot be solved at the same level of awareness that created
them."
Albert Einstein
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Received on Tue Mar 23 2010 - 08:00:04 PDT
