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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Received on Thu Oct 16 2014 - 11:30:03 PDT
