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. Author manuscript; available in PMC: 2021 Apr 5.
Published in final edited form as: J Comput Chem. 2019 Dec 30;41(9):958–970. doi: 10.1002/jcc.26138

Scheme 1:

Scheme 1:

Flow Chart of the workflow of parameterization of electrostatic and bonded parameters using FFParam-GUI. The text in grey boxes correspond to the tabs in FFParam-GUI and text in dashed boxes is the data obtained upon execution of the corresponding action.