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. Author manuscript; available in PMC: 2014 Apr 9.
Published in final edited form as: J Chem Theory Comput. 2013 Mar 11;9(4):1885–1895. doi: 10.1021/ct300978b

Figure 5.

Figure 5

Determination of a transition pathway between the two main conformations of Met-enkephalin using the String method with swarms of trajectories. (a) The average distance to initial string in the collective variable space is plotted as a function of string iteration index. (b) The reference 2D-PMF is overlapped with the initial string and the reaction tube (strings of the last five iterations).