AMBER Archive (2007)

Subject: Re: AMBER: problem with sander

From: David A. Case (case_at_scripps.edu)
Date: Sat Feb 10 2007 - 04:08:01 CST


On Fri, Feb 09, 2007, Seth Lilavivat wrote:
>
> One of the test cases fails. In /test/pheTI the out.p1.dif file looks like
> this:
>
> 190c190
> < Ewald error estimate: 0.5094E-16
> ---
> > Ewald error estimate: 0.0000

This is an innocuous error; you can ignore it.

...dac

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