SilcsBio - Model CGENFF- CHARMM - General Force Field Program Software
The CHARMM General Force Field program generates comprehensive parameters and topology information for a wide range of drug-like molecules, allowing their use in computer-aided drug design campaigns.
RAPID AUTOMATION
Comprehensive Topology Generation and Parameter Assignment for Organic Molecules
The CHARMM General Force Field (CGenFF) program enables use of a wide range of diverse drug-like molecules in computer-aided drug design efforts.
Obtain parameter and topology files for organic molecules in less than 0.01s with this rapid, automated tool!
These comprehensive parameter files contain the information on atom connectivities, atom charges, atom types, bond angles, dihedral angles, bond force constants, and the empirical force field parameters required for a range of molecular modeling methods, molecular dynamics simulation packages and related technologies.
EASY TO USE
Input molecular structure in MOL2 format, CGenFF does the rest!
WIDE COVERAGE
CGenFF can be used for >90% of drug-like molecules.
COMPATIBLE
Parameter output format is compatible with CHARMM force fields & a range of modeling & simulation packages.
SCALABLE
Iteratively & rapidly process large number of organic compounds.
FAST
Parameter generation time: <0.01s per compound on a single core node