<html><body bgcolor="#FFFFFF"><div>1. Update to gromacs 4.0.5</div><div>2. Your file K.Itp contains repeated instructions </div><div>that it should not and therefore the error message.</div><div>Build one new from the ions.itp. </div><div><br></div><div>I am surprised gromos dos not have K+ ion!<span class="Apple-style-span" style="-webkit-tap-highlight-color: rgba(26, 26, 26, 0.289062); -webkit-composition-fill-color: rgba(175, 192, 227, 0.222656); -webkit-composition-frame-color: rgba(77, 128, 180, 0.222656); "> </span></div><div><br>On Jul 6, 2009, at 23:52, sadhna joshi <<a href="mailto:sadhna.joshi@gmail.com">sadhna.joshi@gmail.com</a>> wrote:<br><br></div><div></div><blockquote type="cite"><div>hi,<br> I am using gromacs 3.3.1 and ions.itp does not have K ion (in gromos96). I tried to include it by making K.itp and including in topology file.<br><br>I get the following error..<br><pre><font><font color="#800000">Invalid order for directive atoms, file ""K.itp"", line 1<br>
<br><br><br></font></font>I am not sure where I am wrong,,,<br><br>thanks<br>sadhna<br><br></pre>
</div></blockquote><blockquote type="cite"><div><span>_______________________________________________</span><br><span>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org"><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a></a></span><br><span><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a></span><br><span>Please search the archive at <a href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!</span><br><span>Please don't post (un)subscribe requests to the list. Use the </span><br><span>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.</span><br><span>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php"><a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a></a></span></div></blockquote></body></html>