Parameterization

Parameterization of Small Molecules
General FF for drug-like molecules :
General Amber Force Field (GAFF),
CHARMM General Force Field (CGenFF)
Automated force field tools:
Based on analogy: 
AntechamberParamChem, MATCH, PRODRG, SwissParam
From first principles: 
VMD Force Field Toolkit (FFTK)
General Automated Atomic Model Parameterization (GAAMP)

Comments