Quantifying configuration-sampling error in Langevin simulations of complex molecular systems
J. Fass, D. Sivak, G. E. Crooks, K. A. Beauchamp, B. Leimkuhler, J. Chodera
The paper introduces a method to quantify configuration-space sampling errors in Langevin simulations and validates it against a Monte Carlo estimator.
bioRxiv · Apr 15, 2018Biophysics