diff --git a/mbuild/formats/hoomdxml.py b/mbuild/formats/hoomdxml.py index bbbfc9525..371a266fc 100644 --- a/mbuild/formats/hoomdxml.py +++ b/mbuild/formats/hoomdxml.py @@ -113,7 +113,8 @@ def write_hoomdxml(structure, filename, ref_distance=1.0, ref_mass=1.0, xml_file.write('\n') xml_file.write('\n') xml_file.write('\n') - xml_file.write('\n'.format(ref_distance, ref_mass, ref_energy)) + # We need to convert back into nm and kJ + xml_file.write('\n'.format(ref_distance/10, ref_mass, ref_energy*4.184)) xml_file.write('\n') _write_box_information(xml_file, structure, ref_distance) _write_particle_information(xml_file, structure, xyz, forcefield,