From Amber parameter set: atomic_ions.lib See Li, Roberts, Chakravorty and Merz, JCTC, 9(6), pp 2733-2748, 2013 Residue Atom Ion Name Name Charge ------- ---- ------ AG AG Ag+ Ag Ag Ag2+ AL AL Al3+ BA BA Ba2+ BR BR Br- Be Be Be2+ CA CA Ca2+ CD CD Cd2+ CE CE Ce3+ CL CL Cl- CO CO Co2+ CR CR Cr3+ CS CS Cs+ CU CU Cu2+ CU1 CU Cu+ Ce Ce Ce4+ Cl- Cl- Cl- Cr Cr Cr2+ Dy Dy Dy3+ EU EU Eu2+ EU3 EU3 Eu3+ Er Er Er3+ F F F- FE FE Fe3+ FE2 FE2 Fe2+ GD3 GD GD3+ H3O+ O H3O+ HE+ H HE+ HG HG Hg2+ HZ+ H HZ+ Hf Hf Hf4+ IN IN In3+ IOD I I- K+ K+ K+ LA LA La3+ LI LI Li+ LU LU Lu3+ MG MG Mg2+ MN MN Mn2+ NA NA Na+ NH4 N NH4+ NI NI Ni2+ Na+ Na+ Na+ Nd Nd Nd3+ PB PB Pb2+ PD PD Pd2+ PR PR Pr3+ PT PT Pt2+ Pu Pu Pu4+ RB RB Rb+ Ra Ra Ra2+ SM SM Sm3+ Sm Sm Sm2+ SR SR Sr2+ Sn Sn Sn2+ TB TB Tb3+ TL TL Tl+ Tl TL Tl3+ Th Th Th4+ Tm Tm Tm3+ U4+ U U4+ V2+ V2+ V2+ Y Y Y3+ YB2 YB2 Yb2+ ZN ZN Zn2+ Zr Zr Zr4+