I was just looking at this. I think it's page 181 in ambertools12,pdf
section 7.8.2 average
On Fri, Dec 21, 2012 at 1:24 PM, Jason Swails <jason.swails.gmail.com>wrote:
>
>
> On Dec 21, 2012, at 8:48 AM, Aron Broom <broomsday.gmail.com> wrote:
>
> > Getting an average pdb, whether from the rst files or snapshots from your
> > .mdcrd is just a matter of aligning all the structures, and then taking
> the
> > average of each position. I know ptraj has an alignment command, not
> sure
> > about the averaging. VMD can also align. Worst case scenario you can
> > average with your own little script.
>
> Ptraj has an average command. It is described in the manual.
>
> Good luck,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
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Received on Fri Dec 21 2012 - 12:00:02 PST
