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first draft of martinize2 command tutorials #616
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Awesome! Could you put them under |
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Excellent work! I have some small comments, but overall it looks like a great addition
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The math isn't mathing yet: https://vermouth-martinize--616.org.readthedocs.build/en/616/tutorials/elastic_networks.html#using-decays
Co-authored-by: Peter C Kroon <[email protected]>
That seems to have fixed it! |
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Nice work!
Do you want to wait with merging until we reach a decision on the default force constant for elastic bonds?
Yeah, if @fgrunewald has any thoughts it'd be useful to hear |
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written assuming there'll be a release bump to 0.12.0 once #621 is merged |
…nize2_tutorials # Conflicts: # doc/source/tutorials/basic_usage.rst
I feel like I've tried every possible combination of :ref: <> `<>`_ now 🤞 |
@pckroon looks like the links work now! |
Was there anything else that needed doing for this PR? I lost track |
Pretty sure this is all for now! There's the ongoing issue/discussion we have here but at least for the moment, the documentation is correct for how things are done. If we do anything with #623 and/or that, we'll have to revisit, but I guess that's the nature of documentation anyway 🤷♂️ |
as per #613, some additional pages for the docs about how martinize2 can be used