Dear professor,
I am puzzled with the meaning of K parameter in both bond_style harmonic and angle_style harmonic, and I’ve no idea how to determine the value of K of different components in a system. Could you give me some implications? Thank you.
Best
Tang
2011/3/8 tlx0509236.happy <[email protected]...>:
Dear professor,
I am puzzled with the meaning of K parameter in both bond_style harmonic and
angle_style harmonic, and I've no idea how to determine the value of K of
different components in a system. Could you give me some implications? Thank
you.
and i am baffled that you ask this kind of question. the meaning of k is
explained in about any text book and any introductory article on MD
simulations and classical force fields, that i have seen. i thus suggest
you stick your nose into one of those and catch up on MD basics (and
effectively classical mechanics) before making any attempts at running
simulations with LAMMPS. learning how to parameterize those, is best
done by following the literature, e.g. on how some of the well-known
force fields like (in alphabetical order) Amber, CHARMM, GROMOS,
and OPLS were parameterized.
i'd say the overall implication is that you need to do some homework. 
axel