Re: [AMBER] Confusion in running QM/MMGBSA

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 29 Aug 2015 07:09:28 -0400

On Fri, Aug 28, 2015 at 3:08 PM, MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
wrote:

> Dear Amber Developers
>
> 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.
>

‚ÄčIt belongs in the &gb section. I will fix the manual.

Thanks for the report,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat Aug 29 2015 - 04:30:03 PDT
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