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. Author manuscript; available in PMC: 2017 Jan 16.
Published in final edited form as: J Non Cryst Solids. 2014 Jul 22;407:494–501. doi: 10.1016/j.jnoncrysol.2014.07.005

Figure 2.

Figure 2

Conformational substates at 300 K. Top: Number of clusters versus time for (a) the CG and (b) the AA MD simulations at 300 K. The dashed blue lines correspond to an exponential fit on the function N = N(1 −et). Bottom: Network representations [37] of the coarse-grained MD simulations clusters shown in (a) drawn with a force based algorithm for ℳ on the left and ℋ on the right. The larger ellipsoidal borderlines outline the basins of attraction extracted using a Markov clustering algorithm with a granularity parameter equal to 1.2 [29]

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