The criteria are the same for any type of simulation. Generally, you
must show that, as far as you can tell, the values that you derive are
not going to change if you run the simulation a lot longer. Different
quantities converge at different rates, so ideally you should check
them all independently. In practice, people tend to pick one that they
think will converge the most slowly and analyze the convergence of
that. This could be your PMF.
If it's not converged then you can either run longer or figure out
what is relaxing slowly and include that degree of freedom in your
reaction coordinate.
Chris.
-- original message --
What is the criteria for umbrella sampling convergence. If I am right, the
pulling force and COM distance should be converged. I do not see force or
COM distance convergence after 10ns of simulation.
Regards,
Vijay
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