Dear Case
Thanks for your attention.
Now, I know that Ewald error estimate is not a error. It is an estimate of
the uncertainties arising from finite grid resolution in the PME
calculation and I can ignore this message.
But, my main question is after 3 days,output file was not changed and it
remained in NSTEP = 0.why?
Please help me to resolve this.
Best regards.
On Sat, Feb 11, 2012 at 8:35 PM, case <case.biomaps.rutgers.edu> wrote:
> On Wed, Feb 08, 2012, leila karami wrote:
> >
> > What is meaning of Ewald error estimate?
> > What value of Ewald error estimate is acceptable?
>
> I got this by typing "Amber ewald error estimate" into Google:
>
> http://structbio.vanderbilt.edu/archives/amber-archive/2009/4723.php
>
>
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Received on Sun Feb 12 2012 - 00:30:04 PST
