Rory Crean

Hi @maxscheurer, thanks for confirming this is the case and no worries at all that you have moved on to other work. And thanks for the invite to make a...

Hi both, Are you using .pdb files as your topologies perhaps? This is likely causing issues for mdanalysis as explained here: https://docs.mdanalysis.org/2.0.0-dev0/documentation_pages/analysis/hydrogenbonds.html "It is highly recommended that a topology with...

@chenxiang999 In my case I did not need to modify the topology or trajectory files in anyway. From memory (it was a little while ago), I used resid commands only....

Hello, I'd be happy to try and work on a PR for this if it is okay? I'm not a GSOC person though, just keen to start contributing to some...

Great, thanks. I'll start working on this later today then! Thanks for the point about `_prepare()` and UpdatingAtomGroup, I'll keep it in mind when working on the problem.

Hi again, I've started working on this now and have made some progress and feel confident I understand how the calculation works now but I am not ready for a...

Hello, I've run into this warning (so thank you for placing it). Please could you confirm if I have understood the above messages correctly and now configured my code to...

Thanks for the quick response! Yes it went exactly as you described, originally I didn't have the .copy() but after seeing the warning I thought it might be safer to...