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 says:
Fatal error:
Invalid order for directive defaults, file ""ffoplsaa.itp"", line 18
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
Tehran
Iran
http://www.ibb.ut.ac.ir/
drgall.itp
Description: Binary data
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