The "bond"? Is it covalently bound? If not, what do you mean? Do you get any warnings when you run grompp? <br><br><div><span class="gmail_quote">On 10/18/05, <b class="gmail_sendername">abelius</b> <<a href="mailto:abelius@gmail.com">
abelius@gmail.com</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Dear all,<br><br>I'm trying to run a simulation of a ligand bound to an enzyme. To
<br>produce the *.itp I used the PRODRG server.<br>All goes well a first, but when I try to do an EM the bond between<br>enzyme and protein breaks.<br><br>Does anyone knows how I can fix this ?<br><br>thx in advance,<br><br>
Abel<br><br><br>_______________________________________________<br>gmx-users mailing list<br><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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