[gmx-users] Restarting a periodic simulated annealing run

Bob Johnson robertjo at physics.upenn.edu
Sat Mar 11 01:52:06 CET 2006


Hello everyone,
Is there a way to restart a periodic annealing run if the previous run stops in
the middle? For example, if I'm annealing periodically between 500K and 300K
and the simulation stops at, say, 400K, is there a way to restart the
simulation so that the temperature ramp starts at 400K and proceeds in the same
direction as when it ended?
Thanks,
Bob Johnson



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