<br><br><div class="gmail_quote">On Fri, May 25, 2012 at 4:18 PM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">Mark.Abraham@anu.edu.au</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">On 25/05/2012 7:52 PM, 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 between atoms belonging to each of them I have to produce topoloy with one 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>
These atoms belong to the last residue of the chain A and to the first residue of Chain B. How to get rid of this? Please, help.<br>
</blockquote>
<br></div></div>
What version is this? I seem to recall fixing this bug at some stage.<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br></font></span></blockquote><div><br>Its 4.5.4 - but the atoms belonging to these residues of one chain are created on my own. I added them to residuetypes.dat and to my aminoacids.rtp. They are nonbonded group of residues forming a planar surface. When I remove their CMAP the same error occurs between next two proteins which are formed of existing bonded residues. Do you have an idea how to deal with this?<br>
<br>Steven<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">
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