On Mon, Aug 15, 2016 at 4:48 PM, Chi Jin <jinchi.chemistry.msu.edu> wrote:
> Dear faculty,
>
>
> We want to introduce 2D dihedral energy corrections to the force field of
> our system. How should we implement CHARMM force field within Amber (for
> example, by loading a CHARM lib in tleap.in and modify the force constant
> of the desired dihedrals in that lib file) ?
>
​CHARMM-specific parameters can only be loaded through ParmEd/chamber.
Your best bet is to create the system using CHARMM and then use the chamber
command in ParmEd to convert it.
HTH,
Jason
--
Jason M. Swails
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Received on Mon Aug 15 2016 - 19:00:02 PDT
