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OpenFreeEnergy / ExampleNotebooks

Notebooks demonstrating how to do simple tasks related to free energy calculations.
MIT License
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remove fetch command #21

Open richardjgowers opened 2 years ago

richardjgowers commented 2 years ago

In the showcase notebook there's a mda.fetch_mmtf command, but fetching from rcsb can sometimes be problematic with firewalls. Better to download and include the mmtf locally in the repo.

IAlibay commented 2 years ago

Yeah we can just create the universe from 181L_mod.pdb