Hi,
What version of AmberTools are you using?
-Dan
On Thu, Oct 16, 2014 at 12:16 PM, Ahmed Ayoub <atayoub.ualberta.ca> wrote:
> Hi Amber users,
>
> I'm simulating a huge system (~700,000 atoms) and tleap used to hangover
> once in a while at the loadpdb step. I have done this succesfully several
> times before but it sometimes fails for unclear reasons.
> Could some one please tell me why could tleap do this?
> I checked the log file and it stops at "Joining GLN - CASP" which are my
> last two residues, and it never carries on till the end!
>
> --
> Ahmed Taha Ayoub
> PhD Candidate, Theoretical and Computational Chemistry
> W4-54, Department of Chemistry
> 11227 Saskatchewan Drive
> University of Alberta
> Edmonton, Alberta T6G 2G2
> Canada
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Oct 16 2014 - 13:00:03 PDT
