On Fri, Dec 2, 2011 at 10:35 AM, Brian Radak <radak004.umn.edu> wrote:
> Maybe double check the restart file? I thought the ptraj flag for restart
> format was "restart" not "rst".
>
That explains the error. You'll see an mdcrd-style file with a single
frame, so NATOM is not in the correct place (hence, a bad integer read).
Good catch.
You'll still need to fix your ntx/irest combination.
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 Fri Dec 02 2011 - 08:00:05 PST
