<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "> Ciao Ewald,<div><br class="webkit-block-placeholder"></div><div>gmx2gromos is not part of the cp2k distribution. Have no idea how those</div><div>files where created (maybe one of the guy that did it will reply here with </div><div>more informations). Anyway since you want to use GROMOS FF calculations</div><div>if you already have them you should not need any additional file or conversion.</div><div>If you don't have them please refer to the GROMOS website.. </div><div>or to the GROMACS website (maybe there you will find also information how</div><div>to convert the two formats one in the other).</div><div><br class="webkit-block-placeholder"></div><div>Teo</div><div><br><div><div>On 27 Aug 2008, at 17:36, Ewald Pauwels wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">I get the feeling that these files were somehow converted from gromacs</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">format. Is this program (or another conversion utility) available</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">somewhere? Or, alternatively, is it described how the G96 topology and</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">connectivity should be structured?</font></p> </blockquote></div><br></div></body></html>