Re: [AMBER] MAXPR error in sander sp job

From: David A Case <>
Date: Sat, 20 Feb 2021 17:09:26 -0500

On Sat, Feb 20, 2021, Vaibhav Dixit wrote:
>Now I already have MD and SP (nonperiodic) Es for systems with waterbox
>sizes 10, 15 and 25A (thus I'm guessing closest in not required now). Can
>you please suggest, what are probable reasons for the original MAXPR error
>and how to try to fix it?

You can try to set igb=6. But I'm not sure how you did your MD on the
nonperiodic systems. If you sure that you have a good water environment,
then using igb=6 may help.


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Received on Sat Feb 20 2021 - 14:30:02 PST
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