Torsion Error?

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1

Dear all,

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?

output:

unit: 59 name:CAj charge: 0.00000

unit: 60 name:CAj charge: 0.00000
parameters not found for torsion
atoms 1 5 4 3
names:
CAj
CAj
CAj
CAj

Thanks,

Tyler

towhee_input (7.05 KB)

2

That’s a Towhee Q, not a LAMMPS Q?

Steve