Thanks Jason. I guess I'll have to manually go through the file and find the
charges and parameters of the molecules I'm looking for.
David
On Tue, Jul 26, 2011 at 6:26 PM, Jason Swails <jason.swails.gmail.com>wrote:
> Chamber converts psf files to amber topologies. That's the best you'll do.
> CHARMM and amber force fields have a (slightly) different functional form,
> so leap cannot create a charmm-like prmtop (only chamber can).
>
> Hopefully this is what you were looking for.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
> On Jul 26, 2011, at 5:49 PM, David Cantu <cantudav.amber.gmail.com> wrote:
>
> > Dear Amber Users and Developers:
> >
> > I have a CHARMM (.top) and (.par) files that contain the parameters and
> > charges of a substrate.
> >
> > Can Amber read these files? Or is there a way to convert them to Amber
> > format and/or mol2?
> >
> >
> > Thanks,
> >
> > David
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Received on Wed Jul 27 2011 - 08:30:04 PDT
