Comment on "Martini force field for protonated polyethyleneimine".

J Comput Chem

Department of Mechanical Engineering, University of Alberta, Edmonton, Alberta, Canada.

Published: February 2021

We comment on the recently published Martini forcefield for linear polyethylenimine (Beu et al., J. Comput. Chem., 2020, 41, 349). With supporting evidence, we demonstrate that the new coarse-graining methodology presented in that work is inconsistent with the Martini methodology and lacks important validation steps which is usually required by Martini forcefields.

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http://dx.doi.org/10.1002/jcc.26453DOI Listing

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