[gmx-users] oplsaa in Gromacs 4.0

[Mark Abraham]

friendli wrote:
> Dear all,
> 
> Are the topology components of OPLSAA force field explicitly displayed 
> in Gromacs 4.0?
> I mean the bond, angle, dihedral types(or parameters) following the 
> composed atoms. They are not showed in .top file when oplsaa FF is used, 
> not like other force field, e.g. Gromos96.

The different force fields are constructed differently. If you look in 
the .itp files #included in your .top file, you will see the functional 
forms that are "looked up" by the atom types and numbers that are in the 
.top file.

Mark