AFMM - A Molecular Mechanics Force Field Parametrization Program

Please follow the instructions to perform your analysis or Run Example.

1Provide your Molecular Mechanics normal modes File must have an extension ".inp"
2Provide your Quantum Mechanics normal modes

Currently 3 types of output files are supported for optimization in AFMM: NWChem 4.5 and older, Gaussian 94/98 and Molden format. In principle, any normal mode output can be transformed in the Molden format which contains the frequencies, coordinates and eigenvectors.

3Set the parameters
Max Steps:
Max Sigma Steps:
QM Factor: