[gmx-users] Gff53a6.rtp error (at least GMX331)

Mitchell Stanton-Cook s4026869 at student.uq.edu.au
Mon Jan 21 06:51:52 CET 2008


It has been pointed out that as an improper is defined (planar group) 
explicit inclusion of the third angle is not necessary.

Mitch

Mitchell Stanton-Cook wrote:
> Hi,
>
> I believe the ACE definition in ffG53a6.rtp is incorrect -
>
> Currently:
>
> [ angles ]
>   CA     C    +N    ga_19
>    O     C    +N    ga_33
>
> What I believe it should be -
>
> [ angles ]
>   CA     C     O    ga_30
>   CA     C    +N    ga_19
>    O     C    +N    ga_33
>
> Cheers
>
> Mitch
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