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发帖数: 31 | 1 Force field is a classical treatment of the
molecular system, also called molecular mechanics (MM)
(compared to Quantum mechanics - QM). It seperate
the molecular energy as several parts, say,
bond stretch, angle, torsions, VDW, electronstatic
interaction ... Each type of energy can be assign
a function form (mostly a harmonic osillator),
for example, for bond strech interal energy:
E(r) = k(r-re)^2,
while r is the actual bond distance in the molecular
geometry, re is equilibrium bond distan |
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