[gmx-users] Help with oplsaa and topology file

[Alexandre Suman de Araujo]

Hi Gmxers

I'm building a topology file using oplsaa force field and I have a 
doubt. The dihedrals in ffoplsaabon.itp are not used!!! The parameters 
for the dihedrals are in the .itp file and the atoms of dihedral are 
correct in the .top file. But when I run grompp program it gives me 
warnings saying that the dihedrals from .top files were not found in the 
.itp file. But the parameters are in the .itp files!!!!!
If I put the parameters in the .top file, the warnings disappear.
Why this????
I hope I was clearly.

Thank's

[]'s

-- 
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
UIN: 6194055
IFSC - USP - São Carlos - Brasil