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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Received on Tue Mar 23 2010 - 01:30:02 PDT
