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Additional
force field (chemistry)
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Force field (chemistry)
In the context of
molecular modeling
, a
force field
(a special case of
energy functions
or
interatomic potentials
; not to be confused with
force field
in
classical physics
) refers to the
functional form
and
parameter
sets used to calculate the
potential energy
of a system of atoms or coarse-grained particles in
molecular mechanics
and
molecular dynamics
simulations. The parameters of the energy functions can be derived from experimental work and
quantum mechanical
calculations.
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