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 - 10:30:02 PST
