acids arginine, aspartic acid, glutamic acid, histidine and lysine in water solution. The
molecules have charged NH 3 1+ and COO 1− terminations. The objective is to verify if the
atomic charges of the CHARMM36 force field accurately describe the interactions between
these amino acids and water, using Molecular Dynamics simulations. For this, the molecules
were polarized in solvent medium and we have obtained new atomic charges after the …