Dear All,<br> 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.<br>
<br>Thank you in Advance<br clear="all"><br><b>With Regards,<br>Ravi Kumar Venkatraman,<br>IPC Dept., IISc,<br>Bangalore, INDIA.<br><br><span style="color:rgb(0, 102, 0)">+91-9686933963.</span></b><br><br>