<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><SPAN class="Apple-style-span" style="font-size: 14px;"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;"><FONT class="Apple-style-span" size="6"><SPAN class="Apple-style-span" style="font-size: 24px;"><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">Hi all,</SPAN></FONT></FONT></SPAN></FONT></SPAN></FONT></SPAN><DIV><SPAN class="Apple-style-span" style="font-size: 18px;"><FONT class="Apple-style-span" size="6"><SPAN class="Apple-style-span" style="font-size: 24px;"><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;"> I just wonder if during calculation of molecule properties such as bond length, clusters and etc. the GROMCS uses the </SPAN></FONT></FONT><FONT class="Apple-style-span" face="Helvetica" size="2"><SPAN class="Apple-style-span" style="font-size: 10px;"><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">Boltzmann weighting factor in order to take into consideration the energy of the momently structures?</SPAN></FONT></FONT></SPAN></FONT></SPAN></FONT></SPAN></DIV><DIV><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;"> Itamar.</SPAN></FONT><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;"><BR></SPAN></FONT></FONT><DIV> <DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;"><BR class="khtml-block-placeholder"></SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;"><BR class="khtml-block-placeholder"></SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">===========================================</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Itamar Kass</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| The Alexander Silberman</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Institute of Life Sciences</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Department of Biological Chemistry</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| The Hebrew University, Givat-Ram</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Jerusalem, 91904, Israel</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Tel: +972-(0)2-6585194</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Fax: +972-(0)2-6584329</SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Email: <A href="mailto:ikass@cc.huji.ac.il">ikass@cc.huji.ac.il</A></SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">| Net: <A href="http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html">http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html</A></SPAN></FONT></FONT></DIV><DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;">============================================</SPAN></FONT></FONT></DIV> </DIV><FONT class="Apple-style-span" color="#000000"><FONT class="Apple-style-span" face="Comic Sans MS" size="5"><SPAN class="Apple-style-span" style="font-size: 18px;"><BR></SPAN></FONT></FONT></DIV></BODY></HTML>