Dear Users,<br>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!<br clear="all">
<br>-- <br>----------------------------------------------------------------------<br>Cen-Feng Fu<br>Department of Chemical Physics<br>University of Science and Technology of China<br>Hefei, Anhui, 230026, P.R.China<br>
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