energy minimization

From: Dhiraj Srivastava (
Date: Mon Apr 20 2015 - 21:57:55 CDT

Hi all
        In the absence of gradient tolerance, how can I make sure that
minimization is complete? I am using namd 2.9 which print gradient not
gradient tolerance. I was going through previous posting in the mailing
list but could not find any satisfactory answer as what should be the
criteria for a minimized structure.

thank you

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