It appears the restart2data tool incorrectly reorders the columns of the class 2 Dihedral, EndBondTorsion, and AngleTorsion coefficients.
Also data.py in pizza.py doesn’t handle data files with class 2 bonding information. I just added the keywords to the list (file attached) and it appears to work. Is anything else needed?
P.S. The logic in data.py can be hard to follow if the editor happens to display tabs as 4 spaces. Might be good to only use spaces (or tabs) for indentation.
dataCls2.py (11.4 KB)