Comparison of force-field implementations
This is a table of computer programs implementing molecular mechanics force fields.
| OPLS | AMBER | CHARMM | GAFF | MMFF | QVBMM | UFF | Comments | |
|---|---|---|---|---|---|---|---|---|
| Abalone | UA | 94, 96, 99SB, 03, GS, i | for proteins and DNA | |||||
| AMBER | + | + | + | + | CHARMM force field via "chamber" tool since v11 | |||
| ArgusLab | + | + | addition to Quantum Chemistry | |||||
| Ascalaph Designer | UA | 94, 99SB, 03 | ||||||
| Balloon | 94 | "MMFF94-like" | ||||||
| BOSS | + | |||||||
| CHARMM | + | |||||||
| chemkit | + | + | + | + | ||||
| GROMACS | + | + | + | + | CHARMM and AMBER force fields are included in the standard Gromacs distribution since 4.5.0 | |||
| MOE | AA | 89, 94, 99 | 22, 27 | 94(s) | ||||
| NAMD | + | |||||||
| StruMM3D (STR3DI32) | + | molecules and clusters | ||||||
| TINKER | UA, AA, AA/L | 94, 96, 98, 99 | 19, 27 | for proteins and organic molecules | ||||
| Towhee | UA, AA | 86 | 19, 22, 27 | 94 | + | Monte Carlo | ||
| Yasara | 94,96,99,03 | Plus custom force fields for hires refinement |