From: Stephan Grein (grein_at_informatik.uni-frankfurt.de)
Date: Mon Jul 28 2014 - 09:45:43 CDT
Dear NAMD users,
is there a rule of thumb how long one should equilibrate, i. e. when we
coax the system to the desired simulation/productive period of the MD
simulation?
For no reason I use a minimize #steps of 100 as suggested in the NAMD
tutorial.
Best,
Stephan
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