Advantage

The advantage of MFDFF is multifold.

• By limiting a force field built on data of constituent fragments, MFDFF is more transferrable and accurate than traditional force fields. No compromise is needed.

• Definition of fragments is much more intuitive that definition of atom types. Given certain simple conditions, fragments can be made easily by computer programming, without human interference.

• Parametrization of a MFDFF is easier than parametrization of a classical force field. This is because each force field is made by a small number of fragments, the amount of data is small. It is also because each force field is made independently, the number of variable parameters can be minimized.

The advantages is a tradeoff of that the force fields are made on-demand, which is not as convenient as using a traditional force field. However, by using database to store computed data and force fields, the burden can be reduced or eliminated, as the need of each individual modelers is limited.