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
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Received on Thu Apr 18 2013 - 05:30:03 PDT
