Dear All,
I am trying to simulate the ethylacetate in OPLSAA forcefield.
The parameters for the ethylacetate is already there in OPSSAA.ff
directory. But when I give links for the Improper Dihedral it shows error
like "no default dihedral type". How to include the improper dihedral
parameter for ethylacetate and how to calculate it.
Thank you in Advance
*With Regards,
Ravi Kumar Venkatraman,
IPC Dept., IISc,
Bangalore, INDIA.
+91-9686933963.*
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