minimization gradient question

From: Goutham (gouthambs_at_gmail.com)
Date: Thu Feb 04 2010 - 19:20:32 CST

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Hey All,

I am trying to figure out what is the gradient tolerance reached during a
minimization step. However my namd log doesn't have a mention of the
gradient tolerance per se. There are a number for Line Minimizer gradient
ranges mentioned such as:
LINE MINIMIZER REDUCING GRADIENT FROM 3563.44 TO 35.6344

Can any one clarify please? I am using NAMD 2.7.

Thanks
Goutham

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