When using nbfix, I expect to successfully apply a forcefield and write the structure to a lammps data file. Instead, I obtain the error:
File ".....mbuild/mbuild/formats/lammpsdata.py", line 170, in write_lammpsdata
structure = structure.copy(cls=Structure, split_dihedrals=True)
File ".....python3.8/site-packages/parmed/structure.py", line 613, in copy
for l in self.links:
Software versions
Which version of Foyer are you using? (python -c "import foyer; print(foyer.__version__)") 11.3
Bug summary
When using nbfix, I expect to successfully apply a forcefield and write the structure to a lammps data file. Instead, I obtain the error: File ".....mbuild/mbuild/formats/lammpsdata.py", line 170, in write_lammpsdata structure = structure.copy(cls=Structure, split_dihedrals=True) File ".....python3.8/site-packages/parmed/structure.py", line 613, in copy for l in self.links:
Software versions
python -c "import foyer; print(foyer.__version__)") 11.3python --version)? 3.8