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## Is your feature request related to a problem? ##
As detailed in https://github.com/MDAnalysis/mdanalysis/pull/2525#issuecomment-608264856 several waterdynamics methods currently have an inclusiv…
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I'm pretty new to using `AnalysisBase` to write my own custom analysis classes, and I found it confusing that `frames` and `times` are handled differently in different classes.
Using the `NewAnalys…
edisj updated
1 month ago
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Complete refactor using highway for 0.3.0, see @richardjgowers repo https://github.com/richardjgowers/distopia_2_the_highway_warrior for draft.
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Hi,
I ran a lipid bilayer simulation for 500 ns and when I am trying to calculate order parameter for POPC for a trajectory beginning from the simulation it runs fine. But I want to consider the las…
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Is there a plan to support Python 3.12?
Ubuntu 24.04 is out now, and it only comes with Python 3.12; none of the older Python versions are available in the official APT repos. It would be great if…
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**Introduction**
So this is something that has been brought up in the past in the discussion group (see [this post](https://groups.google.com/forum/#!searchin/mdnalysis-discussion/CTITLE%7Csort:dat…
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## Is your feature request related to a problem? ##
Dear developers,
I would like to suggest adding parallel computing for water dynamics analysis. In https://docs.mdanalysis.org/2.4.1/_modul…
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Trajectory recordings in which the topology change cannot be read by `narupa-mdanalysis`. Such changes occur for instance when a simulation another loaded by the server; a feature heavily used by @rho…
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### Expected behaviour
reading frames from a trajectory imported by MDAnalysis from a **.nc file**
### Actual behaviour
`TypeError: cannot serialize '_io.BufferedReader' object`
### Code to re…
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## Expected behavior ##
I want to install full MDAnalysis package from `dask-0` branch on macOS laptop.
## Actual behavior ##
I get following log:
```
❯ uv pip install './package[all]'
…