Dear AMBER
I was wonder if there is any one has a parrallel version of MMPBSA.pl. I know the new MMPBSA.py is parrallel, but it is just restricted to 3 processors (2 in real worl, where ligand is so small).
Also, how can I restart the job? my jobs have been killed because of the wall clock time, so I would like to continue my jobs rather than to start it from scratch again. How can I do it?
Thanks in advance
S. Bill
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Received on Mon Feb 01 2010 - 04:00:04 PST
