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. Ionic liquids (ILs) constitute an emerging field of research. NewILs are continuously introduced involving more and more organic and inorganicions. Amino acid based ILs (AAILs) represent a specific interest due to theirevolutional connection to proteins. We report a new non- polarizable forcefield (FF) for the eight AAILs comprising 1-ethyl-3-methylimidazolium cationand amino acid anions. The anions were obtained via deprotonation of carboxylgroup. Specific cation-anion non-covalent interactions have been taken intoaccount by computing electrostatic potential for ion pairs, in contrast toisolated ions. The van der Waals interactions have been transferred from theCHARMM36 FF with minor modifications. Therefore, compatibility between ourparameters and CHARMM36 parameters is preserved. Our FF can be easilyimplemented using a variety of popular molecular dynamics programs. It willfind broad applications in computational investigation of ILs.

The Scaled-Charge Additive Force Field for Amino Acid Based Ionic Liquids