<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div>Dear Gromacs users</div><div>I want to create from 1AU1.pdb, the .gro and .top files.</div><div><br></div><div>Running this command</div><div><br></div><div>pdb2gmx -ignh -f 1AU1.pdb -o 1AU1.gro -p topo.top -water spce</div><div><br></div><div>and choose this forcefield: <br></div><div><br></div><div> GROMOS96 53a6 force field (JCC 2004 vol 25 pag 1656)</div><div><br></div><div>I get this error:</div><div>Fatal error:<br>Residue 'BGC' not found in residue topology database<br></div><div>How can i fix it?</div><div><br></div><div>Also what this message by pdb2gmx means?</div><div>Problem with chain definition, or missing terminal residues.<br>This chain does not appear to contain a recognized chain molecule.<br>If this is incorrect, you can edit residuetypes.dat to modify the behavior.<br>8 out of 8 lines of specbond.dat
converted successfully<br></div><div><br></div><div>Thanks</div><div>Regards</div><div>D.M<br></div></div></body></html>