I am trying to run a fullerene molecule, C60, in towhee using OPLS-aa FF file. The input is in an attachment. Does anyone know how to fix the improper torsion error?
unit: 59 name:CAj charge: 0.00000
unit: 60 name:CAj charge: 0.00000
parameters not found for torsion
atoms 1 5 4 3
towhee_input (7.05 KB)