Re: [AMBER-Developers] sqm success/failure on ANP

From: case <case.biomaps.rutgers.edu>
Date: Fri, 21 Jan 2011 10:07:23 -0500

On Wed, Jan 19, 2011, Eric Pettersen wrote:
>
> Actually I believe that Note 6 on p. 84 is out of date in that all the
> current default settings for sqm are now the same or even more lax
> than the values given on p. 84. Perhaps someone should revise that
> note?

?? I don't see the problem. What is stated in note 6 looks correct to me,
and describes correctly what options are passed to sqm by default. Is it
possible you have some modified version of antechamber (perhaps
dock-specific?)

...dac


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Received on Fri Jan 21 2011 - 07:30:06 PST
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