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. Author manuscript; available in PMC: 2013 Jan 10.
Published in final edited form as: J Chem Theory Comput. 2011 Nov 29;8(1):214–223. doi: 10.1021/ct2006456

Figure 1.

Figure 1

Flowchart of the scripts that generate e2 in different orientations. The rectangles and ovals represent the script files and output files in every step, respectively.