On Jun 19, 2013, at 7:08 PM, "Sorensen, Jesper" <jesorensen.ucsd.edu> wrote:
> I did try it now with a DCD and it does work.
> I assumed that it wouldn't based on reading the manual and running MMPBSA.py --help, which sort of specified that is "has" to be an mdcrd.
>
Ah, I see. I will try to clarify this for later versions.
Thanks!
Jason
--
Jason M. Swails
Quantum Theory Project
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Jun 19 2013 - 18:30:02 PDT
