Indeed. grompp does report the seed it uses to stderr. Mark
On Tue, Jan 28, 2014 at 8:51 AM, David van der Spoel <[email protected]>wrote: > 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. > [email protected] http://folding.bmc.uu.se > > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
