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
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