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<DIV><FONT size=2>Dear User,</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>i try to perform simulation on membrane protein (
proterin + DPPC ).</FONT></DIV>
<DIV><FONT size=2>And i use OPLS for protein, Berger force field for DPPC.
</FONT></DIV>
<DIV><FONT size=2>But after i construct this system, i cannot obtain tpr file by
using grompp.</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Here is my topol.top :</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>; protein<BR>#include "ffoplsaa.itp"<BR>#include
"protein-opls.itp"</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>; membrane<BR>#include "ffgmx.itp"<BR>#include
"lipid.itp"<BR>#include "dppc.itp"</FONT></DIV>
<DIV><FONT size=2><BR>; Include water topology<BR>#include "spc.itp"</DIV>
<DIV> </DIV>
<DIV>[ system ]<BR>; name<BR>Membrane in water</DIV>
<DIV> </DIV>
<DIV>[ molecules ]<BR>; name number<BR>Protein
1</DIV>
<DIV>DPPC 123</DIV>
<DIV>SOL 14189</DIV>
<DIV> </DIV>
<DIV>here is the
result:<BR>--------------------------------------------------------------------------------------------------------------------</DIV>
<DIV>Fatal error:<BR>Invalid order for directive defaults, file
""/home/gmx331/share/gromacs/top/ffgmx.itp"", line
4<BR>--------------------------------------------------------------------------------------------------------------------</DIV>
<DIV> </DIV>
<DIV>Could you please give me some suggestion? i appreciate your
help.</DIV>
<DIV> </DIV>
<DIV>Thanks so much!</DIV></FONT></BODY></HTML>