Irfan Alibay

> CPPTraj seems to use the plugin from VMD: https://github.com/Amber-MD/cpptraj/pull/796/files shouldn't be too hard to wrap with Cython. As long as it's just the DE Shaw files (which seem to...

@orbeckst first impressions would be good - is this too complicated, too unpythonic, etc?

@RMeli iirc not all of CI is triggered in draft PRs, need to double check but enforcing draft PR might be a bit of an issue (especially here where I...

Iirc the issue is with the azure trigger, or maybe it was cirrus - definitely something that was out of our control at the time. Generally if gh actions runs...

I can have a proper check on what's up after I'm done with other internal MDA tasks - maybe it's not a thing anymore (especially if it's cirrus), but for...

This might be what I'm remembering 😅https://github.com/MicrosoftDocs/azure-devops-docs/issues/13175

@XiaohuaZhangLLNL is there any chance that the ddcMD folks might be willing to write a documented specification for this file format? Something like: https://ambermd.org/netcdf/nctraj.xhtml This not only would be a...

> I will try to provide a documentation on the code and file format as soon as possible. That would be amazing, thank you so much! We would be happy...

Thanks @cbouy ! From a quick look this seems great, I'll try to review it at some point over the next week (unless someone gets to it first). P.S. For...

/azp run