KeyError                                  Traceback (most recent call last)
 in run_all(ignore)
     34     else:
     35         outfilelmpdat, outfilepdb = readFiles.convert_structure(infile)
---> 36         createBonds.create_bonds(outfilelmpdat, outfilepdb, bondscale, lattice_in_file, boundaries)
     37 
     38 

~/data/results/1919375/struc2lammpsdf/bin/createBonds.py in create_bonds(outfilelmpdat, outfilepdb, bondscale, files_in_lattice, user_boundaries)
     18     write_coeff('./bonds/new.lmpdat', ntypes)
     19 
---> 20     create_lammps_in(outfilelmpdat, ntypes, outfilepdb, bondscale)
     21     print('Creating bonds ...')
     22     return_code = run_lammps()

~/data/results/1919375/struc2lammpsdf/bin/createBonds.py in create_lammps_in(lmpdatFile, ntypes, outfilepdb, bondscale)
    166     with open(outInfile, 'w') as f:
    167         f.write(constant_string1)
--> 168         f.write(createBondCommands.create_bonds_commands(lmpdatFile, outfilepdb, bondscale))
    169         f.write('write_data ./bonds/bonded.lmpdat \n')
    170 

~/data/results/1919375/struc2lammpsdf/bin/createBondCommands.py in create_bonds_commands(infile, pdbfile, bondscale)
     12     commands += '\n'
     13     combinations = atom_type_combinations(types)
---> 14     cutoff_radii_list = cutoff_radii(combinations, types, bondscale)
     15 
     16     for i in range(len(combinations)):

~/data/results/1919375/struc2lammpsdf/bin/createBondCommands.py in cutoff_radii(type_combinations, types, bondscale)
     73 
     74         a1Number = atomic_numbers[a1Name]
---> 75         a2Number = atomic_numbers[a2Name]
     76 
     77         a1Rad = ob.etab.GetCovalentRad(a1Number)

KeyError: 'C1'