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choderalab / mcce-charges

generating ligand charges
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Added a new dir with all of the mcce files #28

Closed SalahBioPhysics closed 8 years ago

SalahBioPhysics commented 8 years ago

This is all of the mcce input/output we have so far. We are running the rest of the inhibitors this week.

jchodera commented 8 years ago

Thanks! This is totally fine for now, but github gets really slow when so many files are added, so we might want to omit some of the numerous energy .opp files next time in favor of just including input files and output summary statistics.