Table 2. Common biomolecular FFs.
Force Fields | Example | Reference |
---|---|---|
AMBER | FF99SB: Primarily for proteins | [79] |
CHARMM | C36: Proteins, nucleic acids, and lipids | [80] |
GROMOS | 54A7: Proteins and nucleic acids | [81] |
OPLS | OPLS-AA: for organic molecules and peptides | [82] |
Open FF | Smirnoff99Frosst: Open force field compatible to AMBER | [78] |
AMBER, Assisted Model Building with Energy Refinement; CHARMM, Chemistry at Harvard Macromolecular Mechanics; FF, force field; GROMOS, GROningen Molecular Simulation; OPLS, Optimized Potentials for Liquid Simulations