I am not certain but according to the manual, allowed values for IGB are
only 1, 2, 5 and 7. That could be a problem here.
/sushil
On Tue, Mar 13, 2012 at 8:35 AM, kirtana S <skirtana4.gmail.com> wrote:
> 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 - 01:00:04 PDT
