AMBER Archive (2002)

Subject: penalty function in NMR refinement

From: Mahadevan Seetharaman (maha_at_vwl.medc.umn.edu)
Date: Mon Dec 02 2002 - 11:09:05 CST

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.

Thanx,
Mahadevan