Dear Jason,
Thanx for reply. I think I have to see what can be done in this direction.
On Tue, Jan 15, 2013 at 4:57 PM, Jason Swails <jason.swails.gmail.com>wrote:
> On Tue, Jan 15, 2013 at 6:18 AM, pooja chahal <chahal.pooja.rs.gmail.com
> >wrote:
>
> > Dear Bill,
> > I just want to ask about modification that can be done in AMBER 9 suite
> to
> > implement AMD in it? There is a paper in McCammon's paper in JCP in 2004
> in
> > which they have done some modification in AMBER 7 so that AMD can be
> > performed in that suit. My interest is to have some idea about those
> > modifications.
> >
>
> That code was never added to the main Amber version -- they custom-modified
> Amber to add AMD. Furthermore, since AMD has already been implemented in
> Amber 12 and the Amber 9 code base is quite old at this point, no developer
> will take the time to add it to Amber 9. Your choices are likely to figure
> out how to implement AMD yourself based on the papers or to upgrade to
> Amber 12.
>
> I also doubt that the authors of the paper you mention are reading these
> emails, so I wouldn't expect them to respond on this email list.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Tue Jan 15 2013 - 04:00:02 PST
