penalty function in NMR refinement

From: Mahadevan Seetharaman <>
Date: Mon 2 Dec 2002 11:09:05 -0600

Hi All,

I was wondering... what is the penalty function used in the nmropt=1
option for calculating restraint violations.

The restraint violations are printed in the output along with a penalty
value and I am unable to find the function used for the calculation.

Received on Mon Dec 02 2002 - 09:09:05 PST
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