revisit the xml writer
cwalker7 opened this issue · 1 comments
cwalker7 commented
Seems like the xml writer in cg_openmm.build.cg_build might be a good way to save cgmodel force field parameters to share outside of cg_openmm (working on this to use for a physical validation example). It's not currently working so need to sync with all the changes made to cgmodel.
cwalker7 commented
Seems like we can actually just pass a cgmodel.system into openmm's built-in XML serializer which is pretty nice. http://docs.openmm.org/development/api-python/generated/openmm.openmm.XmlSerializer.html#