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. Author manuscript; available in PMC: 2009 Jan 28.
Published in final edited form as: J Chem Theory Comput. 2008 Oct 14;4(10):1669–1680. doi: 10.1021/ct8002173

Figure 7.

Figure 7

Backbone rmsd of the Trp-Cage miniprotein during Langevin dynamics with strong thermocoupling. When each segment is initiated with the same random seed (dashed line), the repeating sequence of 100 000 Langevin forces drives the protein into a periodic trajectory (see Results, Severity of Artifacts As a Function of the Langevin Collision Frequency section). No such behavior is seen if an infinite sequence of Langevin forces is used instead (solid line).