Skip to main content
. Author manuscript; available in PMC: 2014 Feb 3.
Published in final edited form as: J Chem Theory Comput. 2013 Sep 6;9(11):5116–5126. doi: 10.1021/ct400431e

Figure 2.

Figure 2

Schematic of the (a) CHARMM-CER NS model; (b) GROMOS-CER NS model and (c) CHARMM-CER NP model. We note that even though GROMOS is a united-atom force field, the GROMOS-CER model includes explicit hydrogens on the amide, OH-1 and OH-2 groups. Note gray atoms represent carbon atoms in a double bonded configuration.