Music_python/atom_atom_file at master · jrhmanning/Music_python · GitHub

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#This is an autogenereated interactions file for music, based on the python script Umbrella-v2. It's probably best to look this over before running your sims
#Lennard-Jones interactions
Carbon Carbon LJ SIG@3.898 EPS@47.81 HICUT@18
Carbon Hydrogen LJ OFF
Carbon Oxygen LJ OFF
Carbon Zinc LJ OFF

Hydrogen Hydrogen LJ SIG@3.195 EPS@7.642 HICUT@18
Hydrogen Oxygen LJ OFF
Hydrogen Zinc LJ OFF

Oxygen Oxygen LJ SIG@3.3 EPS@48.11 HICUT@18
Oxygen Zinc LJ OFF

Zinc Zinc LJ SIG@2.763 EPS@62.34 HICUT@18

#Coulombic region
Carbon Carbon COUL OFF
Carbon Hydrogen COUL OFF
Carbon Oxygen COUL OFF
Carbon Zinc COUL OFF

Hydrogen Hydrogen COUL OFF
Hydrogen Oxygen COUL OFF
Hydrogen Zinc COUL OFF

Oxygen Oxygen COUL OFF
Oxygen Zinc COUL OFF

Zinc Zinc COUL OFF