Re: [AMBER] MMPBSA.py: ECAVITY / ENPOLAR discrepancy

From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Tue, 30 Apr 2013 15:37:27 +0200

On 04/30/2013 03:32 PM, Jason Swails wrote:

> It's possible, but the OP in that thread uses APBS to do the PB
> calculations, so they're more likely unrelated... Do you get similar
> answers with sander vs. nab?\

Oh, I forgot to mention. Yes, the overall result and issue does not
change when using use_sander=1.

>
> Thanks!
> Jason
>


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Received on Tue Apr 30 2013 - 07:00:03 PDT
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