MacroModel Reference Manual - ISP

Appendix C: Atom and Bond TypesTable C.2. Atom types and equivalents. (Continued)EquivalenciesNo. Symbol DescriptionMM2/MM3 Charmm Amber89 m4 Mo +490 m5 Mo +591 m6 Mo +692 Sr Sr +293 L0 Lithium neutral94 M0 Magnesium neutral...100 SP S +101 S2 Sulfur - sp 2102 Cm Cl – CLA103 B0 Any boron104 Fm F –105 Bm Br –106 Im I –107 P5 Phosphorus, pentavalent tetrahedral(e.g. PO 3- 4 )108 P0 Any phosphorus109 S4 Sulfur, tetravalent110 S6 Sulfur, hexavalent octahedral(e.g. SF 6 )111 P4 P + , tetravalent112 Se Selenium113 ST Sulfur, hexavalent tetrahedral(e.g. SO 2- 4 )114 Sm Sulfide anion, S 2-115 Om Oxide anion, O 2-...150 PI Ligand dummy atom186MacroModel 9.7 Reference Manual