[gmx-users] Inclusion of an angle-angle cross term?

[Lee-Ping]

Hi there,

I'm working on fitting some force field parameters to a batch of ab-initio
single-point force calculations, and the fit still needs improvement.  I'm
thinking of including an angle-angle cross term in my custom force field,
but so far I haven't found that GROMACS can implement this.  I think that
five atom labels and three parameters are needed to describe such an
interaction; can GROMACS do this right now?  Thanks.

- Lee-Ping Wang