Oliver Beckstein
Oliver Beckstein
# AtomGroups If we can use pickling of AGs then that would be great. Otherwise the approach in the standard serial version should work, whereby you 1. communicate index arrays...
@iparask could have a look at this issue again? It would be good to have this fixed for the SciPy paper.
@luponzo86 you could create a pull request with your check. We would review, guide you in adding tests, and you'd become an author of PMDA. Development on PMDA is currently...
To get the tests going, change Travis to build and install MDAnalysis from yuxuanzhuang:serialize_io in PR https://github.com/MDAnalysis/mdanalysis/pull/2723 – there's a `pip` command line/url way to directly use a git branch....
You'll also have to update PMDA docs and setup.py to say that this requires MDA 2.0.0 and therefore ≥ python 3.6. There's a question if we want to also do...
I think you can do a PR that is relative to this one and that would be merged into this one. Check the settings for base branch when you create...
@iparask the initial commit on this branch should show the problem that @VOD555 diagnosed in #79 – currently LeafletFinder fails with the distributed scheduler. Please push to this branch for...
Would you mind doing your test with the included test files ```python from MDAnalysis.tests import datafiles as data u = mda.Universe(data.GRO_MEMPROT, data.XTC_MEMPROT) ``` so that we can easily check locally...
Thank you for the detailed error report. I agree that something is not right. I don't immediately see what the problem is, though. I currently don't have time to dig...