<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:12pt"><div><span class="Apple-style-span" style="font-family: times, serif; "><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Hi,</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "> I was planning to simulate a system of long-chain alkane carboxylate in water with a <span class="yshortcuts" id="lw_1288206297_0">chemical formula</span> CH3-(CH2)_20-COOH .</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">For that I was thinking of using an united atom force-field. I found , in gromacs, there are two United atom force-field available: GROMOS-96 and OPLS-UA. I was wondering whether some one can suggest which united atom force-field will be good
choice for such a long chain alkane chain ?</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Thanks</div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Sanku</div></span></div><div style="position:fixed"></div>
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