Dear Users, I am trying to do some simulations for liquid benzyl alcohol and phenylethanol. I want to use the OPLS-AA force field. However, I don't know which parameters should be used for atoms in these two molecules. In the ffnonbonded.itp file for OPLS-AA, which parameters (opls_xxx) should I use. Could anyone give some suggestions? Thanks!
-- ---------------------------------------------------------------------- Cen-Feng Fu Department of Chemical Physics University of Science and Technology of China Hefei, Anhui, 230026, P.R.China ----------------------------------------------------------------------
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