[gmx-users] analysis tools

Roland Schulz roland at utk.edu
Sun Jan 8 01:25:06 CET 2012


it is planned for 5.0. Currently you need to manually run it in parallel.
E.g. by split the trajectory into pieces and running the analysis of each
piece in parallel.


On Sun, Jan 8, 2012 at 1:14 AM, Juliette N. <joojoojooon at gmail.com> wrote:

>  Hello all,
> I am just wondering if analysis tools like g_rdf..can be run in parallel
> like mdrun? I have a big system and analysis tools take a lot of time to
> finish.
> Thanks,
> J.

ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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