In the works... for the time being feel free to mail me offline, I've been
working with a number of students to bring the modules into better shape
for mass consumption. I've added some things for configuration sampling to
improve the data collection process, and I'm quite happy with how that's
going. We are nearly there.
Dave
On Mon, Jul 25, 2016 at 4:20 PM, Dickson, Callum J <
callum.dickson09.imperial.ac.uk> wrote:
> Hi,
>
>
> I've just been reading about the new ff15ipq protein force field and was
> wondering if a tutorial on using the MDGX module is available or will be
> coming out?
>
>
> I'd be interested in trying out IPolQ charge fits but also
> LJ/angle/torsion fitting.
>
>
> All the best,
>
> Callum
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Received on Mon Jul 25 2016 - 14:00:02 PDT
