Re: [AMBER] MMGB/PBSA ligand with lone pair

From: David A Case <>
Date: Thu, 27 May 2021 10:12:34 -0400

On Thu, May 27, 2021, Katia Galentino wrote:

>Is there a way to allow the MMGBSA calculation if in the ligand there
>is the LP ?

No, there is not: we have never generated GB parameters or code to handle
extra points.


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Received on Thu May 27 2021 - 07:30:02 PDT
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