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ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines

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https://hal.univ-lorraine.fr/hal-03603265
Contributor : François Dehez Connect in order to contact the contributor
Submitted on : Wednesday, March 9, 2022 - 5:14:10 PM
Last modification on : Thursday, March 10, 2022 - 3:32:35 AM

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Haochuan Chen, Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai. ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines. Journal of Chemical Information and Modeling, 2018, 58 (7), pp.1315--1318. ⟨10.1021/acs.jcim.8b00115⟩. ⟨hal-03603265⟩

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