Re: AMBER: error in minimization

From: David A. Case <case.scripps.edu>
Date: Tue, 2 Mar 2004 11:41:36 -0800

On Tue, Mar 02, 2004, atchara.mercury.hec.utah.edu wrote:
>
> I tried minimizing my average structure and found the problem. Could
> anybody tell what it means and how to solve. Thank you very much in
> advance.
>
> APPROXIMATING switch and d/dx switch using CUBIC SPLINE INTERPOLATION
> using 5000.0 points per unit in tabled values
> TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
> | CHECK switch(x): max rel err = 0.1990E-14 at 2.461500

There is no error here; this is just an informative (or, really,
not-so-informative...) message that you will always get.

....dac
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Received on Tue Mar 02 2004 - 19:53:00 PST
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