The paper describing the Alexandria Chemistry Toolkit was just published in Digital Discovery. This is a great for future applications of force field science using the ACT. In fact, a first paper with an ACT application was published already a few weeks ago in Phys. Chem. Chem. Phys., as a communication. Using the ACT, we investigate the impact of charge distributions on electrostatic interactions and propose to combine a positive point charge with a negative Gaussian distributed charge.
