Fix the following error:
Traceback (most recent call last):
File "/path/to/python/tests/TestCharmmFiles.py", line 91, in test_HydrogenMass
topology = self.psf_v.topology
File "/path/to/lib/python2.7/site-packages/simtk/openmm/app/charmmpsffile.py", line 782, in topology
topology.addAtom(atom.name, elem, residue)
UnboundLocalError: local variable 'elem' referenced before assignment
Showing
Please register or sign in to comment