<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear all:<div><br></div><div>I was trying to convert the lipid.itp downloaded from Tieleman's website to the format compatible with OPLS. I basically followed the procedure in this post, which is really helpful:</div><div><a href="http://www.mail-archive.com/gmx-users@gromacs.org/msg03459.html">http://www.mail-archive.com/gmx-users@gromacs.org/msg03459.html</a></div><div><br></div><div>But there is one comment there I don't understand:</div><div><pre><font class="Apple-style-span" color="#0000FF">after changing c6/c12
to sigma/epsilon. (gives effective fudgeLJ of 0.125).</font></pre><pre><font class="Apple-style-span" color="#0000FF"><span class="Apple-style-span" style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; white-space: normal; "> Can someone please explain what this means? Why do I have this effective fudgeLJ? </span></font></pre><pre><font class="Apple-style-span" color="#0000FF"><span class="Apple-style-span" style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; white-space: normal; ">Thanks a lot,Bin</span></font></pre><pre><font class="Apple-style-span" face="Helvetica" size="4"><span class="Apple-style-span" style="font-size: 14px; white-space: normal;"><br></span></font></pre></div></body></html>