Hello all I want to study protein-ligand using OPLS ff of Gromacs. For Ligand topology preparation, I am using ACPYPI where I am getting "9 opls_x 1 <1> C9__ 9 0.056600 0.00000 ; qtot -0.253" in .itp file of ligand. And thus, atomtype opls_x is not recognised which leads to falal error....
This C9 is of the form R1=C9H-R2 for which I also searched the ffoplsaa.atp, but did not get any luck. Hope I made myself clear.. Any help will be highly appreciated. -- -- SUNITA GUPTA
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