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There are two ways of making lists with simtk units, which can cause issues when getting their values if we don't use some standard convention throughout cg_openmm.
Indexing works the same way for both methods.
However, we can't apply value_in_unit(unit.degrees) to the first case. We can apply it only to the second case.
I came up with some logic in cg_build.add_force (see #102 ) to handle both types of lists, but it seems like this is an issue that comes up in many other places (especially the free energy / entropy / enthalpy code)
The text was updated successfully, but these errors were encountered:
There are two ways of making lists with simtk units, which can cause issues when getting their values if we don't use some standard convention throughout cg_openmm.
Indexing works the same way for both methods.
However, we can't apply value_in_unit(unit.degrees) to the first case. We can apply it only to the second case.
I came up with some logic in cg_build.add_force (see #102 ) to handle both types of lists, but it seems like this is an issue that comes up in many other places (especially the free energy / entropy / enthalpy code)
The text was updated successfully, but these errors were encountered: