Oliver Beckstein

See https://github.com/alchemistry/alchemlyb/pull/32#discussion_r148339627 for more discussion.

We now also use logging for MBAR (see PR #172 ).

There are currently no `print()` function calls in alchemlyb itself. To close this issue, we only need to add to the docs - [x] user: how to enable logging -...

Note: this is low priority, see https://github.com/alchemistry/alchemlyb/wiki/alchemical-analysis-features

In my experience, calling Python library functions is always preferable to os.system('gmx something'). Therefore, even if EDR is perhaps not the final format it would be very useful to have...

@VOD555 please feel free to work on this!

> Let me check with current plans in GROMACs for data output. If the EDR format is planned for change in the next 1-2 years, it wouldn't make sense. Sure,...

I am not sure how to do this. I wouldn’t want MDA to be a dependency of alchemlyb (even ignoring license status). The simplest approach would be to for @BFedder...

This looks like a complete analysis workflow. I can think of two useful approaches 1. Make it a tutorial and show it as a real-live example. 2. Add a new...

Note: this is low priority, see https://github.com/alchemistry/alchemlyb/wiki/alchemical-analysis-features