On 2016-12-25 12:50, ishan wrote: > Hi Pranav, > > Thanks for the reply, that seems to be a nice trick, I will try it. But One > question still remains whether it is inherently possible in openbabel.
''' High Throughput Computing is a computing paradigm that focuses on the efficient execution of a large number of loosely-coupled tasks, while High Performance Computing systems tend to focus on tightly coupled parallel jobs, and as such they must execute within a particular site with low-latency interconnects. ''' How tightly are your ligand minimizations coupled? Dima ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
