[gmx-users] At what point is the random seed generated?
David van der Spoel
spoel at xray.bmc.uu.se
Tue Jan 28 08:53:16 CET 2014
On 2014-01-28 08:37, Trayder Thomas wrote:
> When using 'gen-seed = -1' at what point is the random seed assigned?
> e.g. Does it use the process ID of grompp and embed the seed number in the
> tpr file, or does it use the process ID of mdrun?
> I ask because I have 50 identical simulations started from the same tpr
> file :(
I guess you found out. Sorry about that. It is done in grompp and same
tpr should give reproducible results. So you want to generate 50
different tpr files.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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