[gmx-users] Fatal error: Invalid dihedral type 0

[Mark Abraham]

He, Yang wrote:
> Hi  all users,
> 
> I just use the grompp -f att.mdp -c atom_b4em.gro -p hust.top -maxwarn 10 -pp and then always show the :
> 
> 
> Fatal error:
> Invalid dihedral type 0

You should try to work out which line this relates to...

> [ dihedraltypes ]
>   ; i    l    func     q0          cq
>     Ab   SLb   2     0.000       -22.60
> 
> 
> 
> [ dihedraltypes ]
> ;j     k   func     phi0         cp       mult
>  SRa   P   1    180.0000       -33.42    2
> 
> 
> I have tried  but it did not  work .

Yup - read the format description for these function types (e.g. Table 
5.3 in the 3.3 manual). You're giving a set of parameters that do not 
match your function types.

Mark