I have tried methane to ethane example in the Mapfiles and able to run successfully.
Now I have created the data files in gromacs format and converted them to lammps format.
I have created two methane (pre-reaction data), ethane +H atoms and parameter files myself, but when i run the claen i get the error IndexError: list index out of range
command I used
AutoMapper.py . clean meth.data eth.data --coeff_file eth.param
I am attaching files here.
cross_link.tar.gz
I have tried methane to ethane example in the Mapfiles and able to run successfully.
Now I have created the data files in gromacs format and converted them to lammps format.
I have created two methane (pre-reaction data), ethane +H atoms and parameter files myself, but when i run the claen i get the error IndexError: list index out of range
command I used
AutoMapper.py . clean meth.data eth.data --coeff_file eth.param
I am attaching files here.
cross_link.tar.gz