From: Wendy González (locuswendy_at_gmail.com)
Date: Thu Sep 02 2010 - 15:55:19 CDT
Dear NAMD users:
How do you know when minimization is converged? I usually know that when I
do a molecular dynamics and appears "Constraint failure in RATTLE algorithm
for atom XXXX", but I suppost that should be another way, a message in the
output (like in CHARMm), or doing an analysis of the energies?
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