Hello,<br><br>If you need to keep ions.top then see the below link:<br><br><a href="http://lists.gromacs.org/pipermail/gmx-users/2010-September/054487.html">http://lists.gromacs.org/pipermail/gmx-users/2010-September/054487.html</a><br>
<br>moeed<br><br><div class="gmail_quote">On 10 March 2011 14:53, tao wei <span dir="ltr"><<a href="mailto:twei2004@gmail.com">twei2004@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Dear Moeed,<br><br>Thanks a lot for your quick response!<br>That is problem. I do need to include ions.itp.<br><br>Is there anything wrong on this file? Does Gromacs mis-understand C* with CU2+ ?<br>Do you think if i only keep the necessary line for these ions that i need?<br>
Thanks for your suggestions!<br><br>Now temporally grompp with the old version of Gromacs, and put it to run it on the cluster<br>with new version. But I should find out what is going on for this new version.<br><font color="#888888"><br>
tao</font><div><div></div><div class="h5"><br>
<br><div class="gmail_quote">On Thu, Mar 10, 2011 at 1:49 PM, Moeed <span dir="ltr"><<a href="mailto:lecielll@googlemail.com" target="_blank">lecielll@googlemail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<br><br>Please don't #include "ions.itp" in your topology file if not needed.
<br><font color="#888888"><br>moeed</font><div><div></div><div><br><br><div class="gmail_quote">On 10 March 2011 13:22, tao wei <span dir="ltr"><<a href="mailto:twei2004@gmail.com" target="_blank">twei2004@gmail.com</a>></span> wrote:<br>
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Hi<br><br><font size="4"><font size="2">I saw your post on Gromacs forum about the</font> <br></font><pre><font size="4">Fatal error:<br>Atomtype CU2+ not found<br><br><a href="http://lists.gromacs.org/pipermail/gmx-users/2010-September/053804.html" target="_blank">http://lists.gromacs.org/pipermail/gmx-users/2010-September/053804.html</a><br>
<br>I have found that i have the same problem.<br>I grompp my file with gromacs-4.0.5. I have no problem.<br>But if I change to gromacs-4.5.3<br>Gromacs just gave me this error report, like yours<br>It looks very strange.<br>
<br>Have you solved the problem?<br>Thanks for your information!<br><br>tao</font><br></pre>
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