what kind of molecule are you working on? GROMACS force field does not
include many different types of molecules apart from protein and
nucleic acids. it seems that the molecule you have created is of an
unknown type. if it is the case, you have to build a topology file on
purpose.<br>
yours, <br>
Magiofer <br><br><div><span class="gmail_quote">On 9/26/05, <b class="gmail_sendername">Amol D. Atre</b> <<a href="mailto:ssb4@udct.org">ssb4@udct.org</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;">
Hello all,<br><br>I generated pdb file using Export to pdb function available in Ghemical.<br>When I ran pdb2gmx I get the following error,<br><br>Fatal error: Residue 'UNK' not found in residue topology database<br><br>Command line: pdb2gmx -f
molecule.pdb -o molecule.gro -p molecule.top<br><br>Please help.<br><br>Waiting for reply.<br><br>Regards,<br>Amol D. Atre.<br>Lab No.A002,<br>Chemical Engineering Department,<br>Mumbai University Institute of Chemical Technology,
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