Dear Amber users,
I am trying to run alanine scanning with with MMPBSA.py but I am getting
this error for my mutated protein:
WARNING: INCONSISTENCIES EXIST WITHIN INTERNAL POTENTIAL
TERMS. THE VALIDITY OF THESE RESULTS ARE HIGHLY QUESTIONABLE
and all of the energy outputs are so huge in comparison to the normal
MMPBSA for the same trajectory. I couldn't figure out whats the problem,
would you help me with that?
Regards,
Maryam
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Received on Tue Mar 04 2014 - 18:00:02 PST
