Re: 哪位了解Amber？# Biology - 生物学
o*e
1 楼
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
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