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<DIV><BR>In God We Trust<BR>Hello Dear proof David van der Spoel </DIV>
<DIV>I want to do energy minimization on bilirubin in HSA with
OPLS force feid .Unfortunately x2top command doesn't work and I made
topology file of bilirubin by hand and included it in topology file of HSA
.I also made GRO of bilirubin and pasted it to GRO file of protein ,but when
I run grompp ,it says:</DIV>
<DIV><STRONG>Fatal error:<BR>Invalid order for directive defaults, file
""ffoplsaa.itp"", line 18</STRONG></DIV>
<DIV><STRONG><BR></STRONG>Would you please tell me what does it mean and
what I must do?<BR>I attached top file of bilirubin to this mail. <BR>
Many thanks in advance for your help and your reply.<BR>Sincerely yours<BR>
Karim Mahnam<BR>Institute of Biochemistry and Biophysics
(IBB)<BR>Tehran University <BR>P.O.box 13145-1384<BR>Tehran <BR>Iran <BR>
http://www.ibb.ut.ac.ir/<BR><BR></DIV>
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