PMDA tutorial - Githubissues

MDAnalysis / WorkshopHackathon2018

Materials, issues and things for the 2018 Workshop and Hackathon

https://www.mdanalysis.org/WorkshopHackathon2018/

GNU General Public License v3.0

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PMDA tutorial #21

Closed orbeckst closed 5 years ago

orbeckst commented 5 years ago

introduction to PMDA

background, refer back to dask tutorial #20
using existing classes
writing your own

micaela-matta commented 5 years ago

@VOD555 this is a trajectory you can use to showcase PMDA: https://figshare.com/s/f528467b80434293d4f7

orbeckst commented 5 years ago

@micaela-matta you set the figshare above to "private visibility" but by providing the link above everyone can see it nevertheless. You might as well make it public...

micaela-matta commented 5 years ago

@orbeckst I am running another 20ns, so until that's done I want to be able to modify the trajectory to include more frames. In the meantime people can have a play.