No arguments (such as 'delta_chem') should carry implicit units

choderalab / saltswap

Package to fluctuate the number of counterions in an OpenMM simulation

MIT License

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No arguments (such as 'delta_chem') should carry implicit units #16

Open jchodera opened 7 years ago

jchodera commented 7 years ago

The README suggests the argument delta_chem to MCMCSampler has implicit units of kJ/mol. We should never have arguments carry implicit units---variables must always carry explicit units (using simtk.unit) or reduced units.