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.
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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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