[gmx-users] At what point is the random seed generated?
mark.j.abraham at gmail.com
Tue Jan 28 13:03:32 CET 2014
Indeed. grompp does report the seed it uses to stderr.
On Tue, Jan 28, 2014 at 8:51 AM, David van der Spoel
<spoel at xray.bmc.uu.se>wrote:
> 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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