Justin, <br><br><div class="gmail_quote">2012/2/6 Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>></span><br><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div><br>
</div>
Some simple calculations using the desired density and the box dimensions (to get the volume) will tell you exactly how many molecules you need. If you only "suppose" you've got a reasonable number, there are better ways to be sure ;)<div>
<br></div></blockquote><div><br>In accordance to my calculations I need in ~ 1000 CCl4 to obtain 1.600 g/cm^-3 density with my box dimensins<br><br>By the way way I try to define such system by <br><br><font face="Arial"><font size="3"><pre>
genbox -ci ccl4.gro -nmol 1000 -box 8.6 6.5 3 -o ccl4_box.gro
<br><br>I've obtain memory error :(<br><br><br>Is there any other way to define such system with the desired size and n_mollecules with the less computation demands?<br><br><br>James</pre></font></font> </div></div>