Changing criteria that defines "ADP-bound"

choderalab / AURKA_UMN

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Closed juliebehr closed 8 years ago

juliebehr commented 8 years ago

By this definition, system.pdb has ADP bound for all 10 runs.

juliebehr commented 8 years ago

Included here:

New definition of ADP-bound
Robust (i.e. extremely slow) scripts to determine definitions of W1 W2 etc based on location of long-lasting hbonds, rather than the other way around