An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package

Shitanshu Bajpai, Brian K. Petkov, Muchen Tong, Charlles R. A. Abreu, Nisanth N. Nair, Mark E. Tuckerman. An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package. Journal of Computational Chemistry, 44(28):2166-2183, 2023. [doi]

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