<br><br><div class="gmail_quote">On Wed, Dec 8, 2010 at 4:01 AM, Sascha Hempel <span dir="ltr"><<a href="mailto:sascha.hempel@bci.tu-dortmund.de">sascha.hempel@bci.tu-dortmund.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Hi all!<br>
<br>
I am trying to add some hard spheres to my simulation. As far as i can<br>
tell from the manual Gromacs supports only LJ or Buckingham for<br>
non-bonded interaction.<br></blockquote><div><br></div><div>Why cant you use LJ? By setting the attractive part equal to zero.</div><div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<br>
Is there a way to add hard spheres to lets say a simulation of Water<br>
molecules without interfering into the regular water-water interaction?<br>
<br>
Thanks a lot in advance,<br>
<br>
Sascha<br>
<br>
TU Dortmund<br>
Laboratory of Thermodynamics<br>
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