Dear all,
in their book "A guide to biomolecular simulations" by Becker and
Karplus, a general convergence criterion for MD simulations is presented
(p. 79 in 1st edition) without any further reference:
log_10 (<E(t)-<E>> / <E>) < -3
Has anyone on this list heard about that criterion or seen its
application in a publication?
Regards,
Anselm
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Received on Fri May 17 2013 - 13:00:02 PDT
