<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>Dear Lin,</DIV>
<DIV>I have suggestions:</DIV>
<DIV><BR>Micelles should (theoretically) form above the CMC. So if you want a micelle, the concentration should be >>CMC</DIV>
<DIV>I suggest that you find the CMC experimentally, then convert the concentration to nm^3 (let say: mv/1000nm^3)</DIV>
<DIV>The number of molecules should be able to obtained by multiplying with Avogadro number: (6.023x10^23). If your system contain co-surfactant, then you'll need to get the experimetal CMC for at least one of the two surfactants (if both non-ionic..if not you'll need the activity coefficient for each surfactant).Take a look at this paper:</DIV>
<DIV> </DIV>
<DIV>
<P class=MsoNormal style="MARGIN: 0in 0in 10pt 21.3pt; TEXT-INDENT: -21.3pt; LINE-HEIGHT: normal; TEXT-ALIGN: justify; mso-list: l0 level1 lfo1; tab-stops: 21.3pt"><SPAN style="FONT-FAMILY: 'Times New Roman'">Bourov G. K. and Bhattacharya A., Brownian dynamics of mixed surfactant micelles, <I style="mso-bidi-font-style: normal">Journal of Chemical Physics</I>, 123 (2005) 204712(1)-204712(6)<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></P></DIV>
<DIV>How long 600 ps simulation is depends on your system size, box type, parameters and computational power (see manual).</DIV>
<DIV>One other way to KNOW the surfactants formed micelle is by measuring the surface tension (use g_energy). But g_energy gives surface*surface tension value, so you'll need to work on that. (HINT: Surface tension value drop drastically at CMC)</DIV>
<DIV> </DIV>
<DIV>Hope these helps,</DIV>
<DIV> </DIV>
<DIV>Muhammad Alif Mohammad Latif </DIV>
<DIV></DIV>
<DIV>Department of Chemistry<BR>Faculty of Science<BR>Universiti Putra Malaysia<BR>43400 UPM Serdang, Selangor<BR>MALAYSIA</DIV></div><br>
</body></html>