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. Author manuscript; available in PMC: 2014 Aug 4.
Published in final edited form as: J Chem Theory Comput. 2012 Nov 9;9(1):750–765. doi: 10.1021/ct300751h

Figure 2.

Figure 2

MS-CG-derived pair-wise interaction between CG sites in the DOPC 3-site model. MS-CG provides an accurate set of CG interactions for well-sampled regions of phase space. Due to poor sampling in the short range, the MS-CG method does not guarantee accurate interactions at close range. This is particularly true for highly CG models with a large number of atoms coarse-grained into a single site as shown in figure 1. An analytical interaction potential with user-selected parameters is used to represent the short-ranged interaction.