Shujie Fan
Shujie Fan
[convergence.zip](https://github.com/alchemistry/alchemlyb/files/9338579/convergence.zip) @xiki-tempula Here's the script we used in SAMPL6 and SAMPL7 challenges.
In our SAMPL7 work we only run it on dHdl, but in principle, one can run it on other column on the u_nk. We run the R_c after equilibrium detection.
I'm ok with dropping 2.7 in 0.4.
We need to solve #113 and #130
Oh, that should be #118
@orbeckst I found the density option of `InterRDF_s` in current `MDAnalysis` and `pmda` are different, in which `density=False` in MDA means `density=True` in pmda. It's necessary to make pmda the...
It's corresponding to #130
In MDAnalysis, we change the defination of option `density` (https://github.com/MDAnalysis/mdanalysis/pull/2812). This also needs to be fixed.
@orbeckst @iparask It's due to line 74 in `leaflet.py` ```python self._atomgroup = atomgroups ``` `distributed.client` cannot pickle `atomgroup` or `universe`. Currently, the only way is to avoid using `atomgroup` or...
It's very cool that this PR helps get rid of rebuilding the universe, and make the code much simpler. Yeah, the test failed as we changed the definition of the...