[gmx-users] At what point is the random seed generated?

[David van der Spoel]

On 2014-01-28 08:37, Trayder Thomas wrote:
> Hi,
> 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 :(
>
> Thanks,
> -Trayder
>
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