Hi,<br>
the easiest way to build a gromacs topology file for any molecule is to submit your regular pdb file to the on-line tool <span style="font-style: italic;">prodrg<br>
<span style="font-style: italic;"><span style="font-style: italic;"><br>
</span></span></span><a href="http://davapc1.bioch.dundee.ac.uk/programs/prodrg/">http://davapc1.bioch.dundee.ac.uk/programs/prodrg/</a><span style="font-style: italic;"><span style="font-style: italic;"><span style="font-style: italic;">
<br>
</span><br>
</span></span>unluckily sometimes the topology could contain some errors of atom type attribution, so take it carefully!<br>
<br>
hope it helps,<br>
MG<br>
<br><br><div><span class="gmail_quote">On 1/12/06, <b class="gmail_sendername">Roman Holomb</b> <<a href="mailto:romhol@fy.chalmers.se">romhol@fy.chalmers.se</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 Gromacs users,<br><br>I'm trying to build the topology files for Butyl-3(Ethyl-3 and<br>Hexyl-3)-methylimidazolium tetrafluoroborates.<br><br>Can anyone know how to do it manually when pdb files of these systems<br>have not all information?
<br>Maybe the proper pdb files excists?<br><br>Thanks<br><br>/Roman<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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</a>.<br></blockquote></div><br>