Robust#28

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jiayeguo wants to merge 3 commits intomasterfrom

Commits on Mar 18, 2019

Use 1m17 for the docking test and provides clean example for setting up multiple simulations.
jiayeguo
committed
Use 1m17 for the docking test and provides clean example for setting up multiple simulations.
jiayeguo
committed

Commits on Mar 26, 2019

Made chain identification and atom selection more robust.
jiayeguo
committed