Polarizable-GAFF-input-files

This is a part of the Supporting Information of the paper "GAFF-based Polarizable Force Field Development and Validation of Ionic Liquids" by Ning Wang and Edward J. Maginn.
Citation: Ning Wang and Edward J. Maginn*, GAFF-Based Polarizable Force Field Development and Validation for Ionic Liquids, J. Phys. Chem. B, 2024, 128, 3, 871-881
Each folder contains detailed LAMMPS input files for each ionic liquid;
Partial charges can be found in the data-p.lmp file in each folder;
File alpha.ff contains atomic polarizability for each atom type;
File fragment.ff contains monomer dipole moment and dimer equilibrium distance;
File k_ij.txt contains detailed scaling factors for Epsilon LJ coefficients.