AMBER Archive (2006)

Subject: Re: AMBER: GBSA EGB = NaN

From: David A. Case (case_at_scripps.edu)
Date: Mon Aug 21 2006 - 12:10:24 CDT

On Mon, Aug 21, 2006, William Wei wrote:
>
> For the IGB, I used 4. The amberversion I am using is amber 7. Is this
> version too old? I do not know if this version have option IGB=5 or not.

Try igb=1 just on a single snapshot, to see if the NaN problem goes away.
That might help localize the problem.

...dac

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