[gmx-users] grompp error

Mahnam mahnam at ibb.ut.ac.ir
Thu Jun 22 07:55:02 CEST 2006

In God We Trust
Hello Dear proof David van der Spoel 
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 
Fatal error:
Invalid order for directive defaults, file ""ffoplsaa.itp"", line 18

Would you please tell me what does it mean and what I must do?
I attached top file of bilirubin to this mail. 
Many thanks in advance for your help and your reply.
Sincerely yours
Karim Mahnam
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University 
P.O.box 13145-1384
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