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. 2016 Dec 20;111(12):2689–2697. doi: 10.1016/j.bpj.2016.11.010

Figure 5.

Figure 5

CoM drift when automatic CoM removal is disabled for the entire system (red line), fluid particles only (green line), and lipids only (blue line). Shown are conventional Martini NVE (A), conventional Martini NVT (B), STRD Martini with direct coupling (C), and STRD Martini with collisional coupling (D). The collision angle for the STRD Martini simulation is 180° to maximize integrator perturbation. Note the difference in vertical scales. The SRD parameters for the direct coupling scheme (C) are a = 2.0 nm, τMD = 2 fs, τC = 100 fs, and N = 1 nm−3, and those for the CC scheme are a = 2.0 nm, τMD = 10 fs, τC = 200 fs, and N = 2.4 nm−3. To see this figure in color, go online.