Re: [AMBER] MMPBSA.py code Error: unknown keyword or invalid value: --closureorder

From: David Case <david.case.rutgers.edu>
Date: Wed, 21 Aug 2019 02:30:46 +0000

On Thu, Aug 08, 2019, Ilyas Yildirim wrote:

>I think the issue is with the file calculation.py, line # 258. If one changes
>
>
> '--closureorder', self.closureorder,
>to
>
> '--closureOrder', self.closureorder,
>
>rism3d.snglpnt starts running without trouble. A bugfix needs to be
>applied. It is a typo.

This has now been fixed, with update.7 for AmberTools19. Thanks for the
report.

...dac


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Received on Tue Aug 20 2019 - 20:00:02 PDT
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