[lammps-users] Converting from (*.car ) to LAMMPS input


The atom types in your .car file must correpond to those in the .frc file that msi2lmp uses for the conversion. It looks like you used CVFF (cvff.frc), but you need to label your atoms with specific atom types. A full listing of atom types is given at the top of cvff.frc.



Thanks a lot.

But, how do one label the atoms with specific atom types?
(I looked at the cvff.frc file, to see if l could get a clue.)