[gmx-users] Parallel do_dssp analysis over mpi?
mnaqvi at ryerson.ca
Mon Nov 8 20:24:37 CET 2010
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?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users