AMBER: error in minimization

From: <atchara.mercury.hec.utah.edu>
Date: Tue, 2 Mar 2004 10:47:14 -0700 (MST)

Hi,

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.

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   4. RESULTS
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 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

Atchara.
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Received on Tue Mar 02 2004 - 17:53:00 PST
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