Neha,
I will put together a tutorial and a python script to reweight and try
to get that posted up here this weekend. This has been on my todo list ;)
Cheers,
~Levi
On Thu, Apr 18, 2013 at 8:04 AM, Jason Swails <jason.swails.gmail.com>wrote:
> On Wed, Apr 17, 2013 at 10:52 AM, Levi Pierce <levipierce.gmail.com>
> wrote:
>
> > I have had a bunch of requests for this and I basically send along my
> > Matlab script that I use to do this but it probably makes sense to just
> add
> > this in to cpptraj...Jason what do you think?
> >
>
> It sounds like a good place for it to end up ultimately, but it won't make
> it in before the next AT release. It would probably help to have a
> tutorial explaining how to run and reweight AMD simulations (in addition to
> a file describing the amd.log file with units), and putting the script on
> the tutorial would be a great help as well.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
--
Levi Pierce | Senior Software Developer | Schrodinger, Inc. | *(212)548-2379
*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 18 2013 - 08:00:02 PDT
