> >From GROMOS
> IMPROPER DIHEDRAL
> #define gi_1 0.0 167.42309
> planar group 40
>
>
> TO AMBER
> IMPROPER
> ca-ca-ca-ne 40.05 180.0 2.0
>
>
> 167.42309kJ/mol=40.05 kcal/mol
> Could anyone tell me if the two set of the force field parameters are the same?
A side issue: the amber dihedral will be applied to all places
where a ca is surrounded by ca,ca,ne. I'm not sure if the gromos
improper is applied the same way.
Bill
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Received on Wed May 07 2008 - 06:07:46 PDT
