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

Mitchell Stanton-Cook s4026869 at student.uq.edu.au
Mon Jan 21 05:32:39 CET 2008


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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