Dear Amber Users,
I am using MMPBSA.py for the binding free energy calculations. My
simulations are in vacuum (ntb=0) . The GB calculations send me the
following error. I used igb=6,
Found an invalid periodicity in the prmtop file: 0
Error: mmpbsa_py_energy error during GB calculations!
Can anyone tell me about this where I go wrong.
--Kirtana
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Received on Tue Mar 13 2012 - 01:00:03 PDT
