[gmx-users] Parallel do_dssp analysis over mpi?

Ali Naqvi mnaqvi at ryerson.ca
Mon Nov 8 20:24:37 CET 2010

Dear All,
I have a trajectory of 100ns and have been trying to analyze it using dssp
program. I guess this question also goes for other analysis programs like
g_rama, g_rdf and what not.

Since the trajectory is big, it takes hours to analyze with do_dssp.. infact
48 hours. I have been able to analyse only one set of 100ns and have 7 more
trajectories. Is it possible to get it running in parallel to expedite the
analysis? If so, which flags need to be appended?

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