<br><br><div class="gmail_quote">On Fri, May 25, 2012 at 2:34 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="HOEnZb"><div class="h5"><br>
<br>
On 5/25/12 5:52 AM, Steven Neumann wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Gmx Users,<br>
<br>
My system is made of 3 proteins. As I want to use distance restraints dynamics<br>
between atoms belonging to each of them I have to produce topoloy with one<br>
moleculetype. I used pdb2gmx -chainsep interactive (I used merge: yes).<br>
<br>
Then when I process to grompp the error: "unknown cmap torsion between atoms<br>
......."<br>
<br>
These atoms belong to the last residue of the chain A and to the first residue<br>
of Chain B. How to get rid of this? Please, help.<br>
<br>
</blockquote>
<br>
</div></div><a href="http://redmine.gromacs.org/issues/885" target="_blank">http://redmine.gromacs.org/<u></u>issues/885</a><br>
<br>
Either apply Mark's patch posted there or download the latest release-4-5-patches branch via git.<span class="HOEnZb"><font color="#888888"><br>
<br>
-Justin<br>
<br></font></span></blockquote><div><br>Thanks! I need to talk to the administrator as the Gromacs I am using is on the cluster. Would you suggest to install GMX 4.5.5 first and then apply the patch?<br><br>Steven<br><br>
<br></div><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><span class="HOEnZb"><font color="#888888">
-- <br>
==============================<u></u>==========<br>
<br>
Justin A. Lemkul, Ph.D.<br>
Research Scientist<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a><br>
<br>
==============================<u></u>==========</font></span><div class="HOEnZb"><div class="h5"><br>
-- <br>
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