Comparison of force-field implementations explained

This is a table of notable computer programs implementing molecular mechanics force fields.

Program	OPLS	AMBER	CHARMM	GAFF	MMFF	QVBMM	UFF	Comments
Abalone								For proteins, DNA, ligands
AMBER
Ascalaph Designer
Avogadro
Balloon								MMFF94-like
BOSS
CHARMM				^[1]				in standard distribution
Gabedit
Gaussian mm utility								Dreiding field available
GROMACS								in standard distribution since v4.5.0
MOE
NAMD
Q								For biopolymers
Tinker								For proteins, organic molecules
Yasara								Plus custom fields for hires refinement

See also

• Force field (chemistry)
• List of software for Monte Carlo molecular modeling
• Molecular mechanics
• Molecular design software
• Molecule editor
• Comparison of software for molecular mechanics modeling
• Molecular modeling on GPU

Notes and References

1. http://www.charmm-gui.org/ CHARMM-GUI