Re: [AMBER] EGB discrepancy between sander and pmemd

From: case <case.biomaps.rutgers.edu>
Date: Tue, 4 Dec 2012 18:02:47 -0500

On Tue, Dec 04, 2012, Eng H Yap wrote:
>
> I am still trying to set igb=0 as suggested by Dave, but it seems then
> I'll need ntb=1, and I'll have to solvate the box in leap. Is that
> right?

Sorry: easier path is to set igb=6, which turns off GB, but doesn't require
(or allow) ntb=1.

...dac


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Received on Tue Dec 04 2012 - 15:30:02 PST
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