Table 1. Some Recent Versions of Popular Force Fields.
| force field | Pola | targets | refs |
|---|---|---|---|
| Amber ff14ipq | no | protein, RNA | (68) |
| Amber ff15ipq | no | protein, RNA | (69) |
| Amber ff14sb | no | protein, RNA | (70) |
| Amber ff19sb | no | protein, RNA | (71) |
| Amoeba | yes | protein, RNA, DNA | (72, 73) |
| GAFF | no | small molecules | (74) |
| GAFF2 | no | small molecules | (75) |
| Charmm36 | no | proteins, nucleic acids, lipids | (76) |
| CGenFF | no | small molecules | (77) |
| Charmm Drude | yes | protein, RNA | (78) |
| GROMOS 54A8 | no | protein | (79) |
| GROMOS 2016H66 | no | small molecules | (80) |
| TraPPE | no | liquids | (81) |
| OPLS-AA | no | liquids | (82) |
| OPLS3 | no | drug-like small molecules, proteins | (83) |
| OPLS3e | no | drug-like small molecules | (84) |
| MM3,MM4 | no | small molecules | (85) |
| MMFF94 | no | small molecules, proteins | (86−90) |
| MMFF94S | no | small molecules, proteins | (91, 92) |
| Smirnoff99Frosst | no | small molecules | (93) |
| OpenFF-1.0, 1.1, 1.2, 2.0 | no | small molecules | (94) |
| ReaxFF | yes | reactive systems | (95) |
a
Pol indicates whether polarizability is included in the FF explicitly.