[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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