On Sat, May 07, 2016, Fatemeh Arabi wrote:
>
> I am trying to run MM-GBSA method and the MM-PBSA
> method for comparison for protein and ATP system, but the final
> output file isn't built.
We need information about exactly what you did, and what the error messages
were. Please read carefully the paragraph at the begining of the MMPBSA.py
chapter, about not treating these programs as a "black box". They can be very
helpful when things work, but you have to be willing to look at individual
output files to find errors when the operation fails.
...good luck....dac
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Received on Sat May 07 2016 - 06:30:04 PDT
