[gmx-users] continuation with different dt values

Dayhoff, Guy gdayhoff at health.usf.edu
Tue Apr 4 00:03:32 CEST 2017


   I’m continuing a run and setting init-step as the total steps completed in the run i’m continuing from,
if I change the dt for the continuation do I need to scale the steps previously taken? i.e going from dt = 1
to dt =2, completing 100 steps in the first sim, does init-step take the value 100 regardless of the change in dt?

My Best,
   Guy Dayhoff

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