lammps_interface

Hi,
I’m trying lammps_interface.py to procuce input for mixtute water/propanol.
The option --molecule-ff to define different force field doesn’t work correctly. Any ideas?

python3.5 /home/alberto/lammps_interface/lammps_interface.py propanol-10-wat.cif --molecule-ff TIP3P --molecule-ff UFF --replication 1x1x1

Alberto

https://github.com/peteboyd/lammps_interface/issues