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choderalab / protons

OpenMM testbed for constant-pH methodologies.
http://protons.readthedocs.io/
MIT License
20 stars 13 forks source link

Don't need to pass ffxml file to constructor #95

Open jchodera opened 7 years ago

jchodera commented 7 years ago

It looks like the ForceField object doesn't cache the XML files, so we will need to either request that this be added to OpenMM or you would need to add to the register a parser.