On Sat, Aug 29, 2015, MOHD HOMAIDUR RAHMAN wrote:
>
> I am trying to run QM/MMGBSA for protein drugs system. For references, I
> look into AmberTool 15, page no. 631. The QM region is define in gb
> namelist variables (page no. 626) while in examples (page no 631) QM
> region defines in general namelist variables.
>
> Please suggest us Is typing mistake in examples. Please also suggest us how
> to proceed this.
I agree that there appears to be a mistake in the documentation.
"How to proceed"? Try some test calculations and see what happens.
...dac
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Received on Fri Aug 28 2015 - 19:00:03 PDT
