In the context of
molecular mechanics, a force field (also called a forcefield) refers to the
functional form and
parameter sets used to describe the
potential energy of a system of particles (typically but not necessarily
atoms). Force field functions and parameter sets are derived from both experimental work and high-level
quantum mechanical calculations. "All-atom" force fields provide parameters for every atom in a system, including
hydrogen, while "united-atom" force fields treat the hydrogen and
carbon atoms in
methyl and
methylene groups as a single interaction center. "Coarse-grained" force fields, which are frequently used in long-time simulations of
proteins, provide even more abstracted representations for increased computational efficiency.
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