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. 2020 Apr 2;16(4):e1007449. doi: 10.1371/journal.pcbi.1007449

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