I am using the estimate_umbrella_sampling function with the dtram estimator in order to get an unbiased PMF profile for an umbrella sampling study of membrane permeation. I would like to check the implied timescales in order to select a suitable lagtime for this process. Is there anyway to do this without access to a corresponding set of unbiased simulations?
I am using the estimate_umbrella_sampling function with the dtram estimator in order to get an unbiased PMF profile for an umbrella sampling study of membrane permeation. I would like to check the implied timescales in order to select a suitable lagtime for this process. Is there anyway to do this without access to a corresponding set of unbiased simulations?