Calculation of Collective Variable-based PMF by Combining WHAM with Umbrella Sampling

State Key Laboratory of Precision Spectroscopy,Department of Physics,East China Normal University,Shanghai 200062;Institute of Theoretical and Computational Science,Institutes for Advanced Interdisciplinary Research,East China Normal University,Shanghai 200062

State Key Laboratory of Precision Spectroscopy,Department of Physics,East China Normal University,Shanghai 200062

State Key Laboratory of Precision Spectroscopy,Department of Physics,East China Normal University,Shanghai 200062;Institute of Theoretical and Computational Science,Institutes for Advanced Interdisciplinary Research,East China Normal University,Shanghai 200062;3 Department of Chemistry,New York University,New York,New York 10003,USA