AMBER Archive (2004)

Subject: AMBER: error in minimization

From: atchara_at_mercury.hec.utah.edu
Date: Tue Mar 02 2004 - 11:47:14 CST

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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