Supporting files for "Building an intuition for binding free energy calculations: bound state definition, restraints, and symmetry"
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The archived folder contains the input files necessary to reproduce the decoupling simulations reported in our paper "Building an intuition for binding free energy calculations: bound state definition, restraints, and symmetry", as well as the python scripts used to analyse the data and the log files of the simulations. For any additional information, the authors can be contacted by email: duboue-dijon at ibpc.fr and henin at ibpc.fr
创建时间：
2021-02-09
