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. 2014 Dec 17;119(4):1233–1242. doi: 10.1021/jp509136y

Figure 1.

Figure 1

Standard clustering scheme used for torsional MD in GNEIMO shown for the tripeptide Ala-Tyr-Ala. The rigid clusters are shown in a single color, and these clustered atoms move together as a single unit. The gray rods and arrows represent hinges connecting two clusters. Material: Reprinted with permission from ref (35). Copyright 2014 Wiley Periodicals Inc.