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The file can be accessed here.
And when I try to create a ForceField from the file. I get the following error:
>>>fromgmsoimportForceField>>>ff=ForceField('gaff_gmso.xml', strict=False)
Traceback (mostrecentcalllast):
File"<stdin>", line1, in<module>File"/home/umesh/work/mosdef-hub/gmso/gmso/core/forcefield.py", line82, in__init__ff=ForceField.from_xml(xml_loc, strict, greedy)
File"/home/umesh/work/mosdef-hub/gmso/gmso/core/forcefield.py", line509, infrom_xmlchild_tag='ImproperType'File"/home/umesh/work/mosdef-hub/gmso/gmso/utils/ff_utils.py", line329, inparse_ff_connection_typesctor_kwargs['expression'])
File"/home/umesh/work/mosdef-hub/gmso/gmso/utils/ff_utils.py", line63, in_parse_params_values'Parameter {} is in units but cannot be found in parameters list'.format(param))
gmso.exceptions.ForceFieldParseError: Parameterdelta0isinunitsbutcannotbefoundinparameterslist>>>
The text was updated successfully, but these errors were encountered:
I created a gaff gmso XML file using the gaff foyer XML using the following code:
The file can be accessed here.
And when I try to create a
ForceField
from the file. I get the following error:The text was updated successfully, but these errors were encountered: