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. Author manuscript; available in PMC: 2013 Jan 1.
Published in final edited form as: Wiley Interdiscip Rev Comput Mol Sci. 2011 Jun 28;2(1):167–185. doi: 10.1002/wcms.74

Figure 1.

Figure 1

Schematic representation of how atomic polarizability is treated in the CHARMM polarizable force field using methanol as an example. Drude oscillators (or particles)(blue, “D”) are attached to non-hydrogen parent atoms through harmonic bonds (dashed lines). Oxygen lone-pairs (green, “LP”) are connected with constrained bonds, angles, and dihedrals relative to the C-O-H plane. Hydrogens are not considered as polarizable entities in this model.