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first draft of martinize2 command tutorials #616

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csbrasnett
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as per #613, some additional pages for the docs about how martinize2 can be used

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pckroon commented Oct 9, 2024

Awesome! Could you put them under doc/source/tutorials though? I'll go through the text later this week.

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pckroon commented Oct 9, 2024

https://vermouth-martinize--616.org.readthedocs.build/en/616/ :)

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Excellent work! I have some small comments, but overall it looks like a great addition

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That seems to have fixed it!

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pckroon previously approved these changes Oct 14, 2024
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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?

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Yeah, if @fgrunewald has any thoughts it'd be useful to hear

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Some small nitpicks.
Also, we should remember to adjust this after #621 and #622

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written assuming there'll be a release bump to 0.12.0 once #621 is merged

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I feel like I've tried every possible combination of :ref: <> `<>`_ now 🤞

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@pckroon looks like the links work now!

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pckroon commented Nov 4, 2024

Was there anything else that needed doing for this PR? I lost track

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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 🤷‍♂️

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3 participants