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Fix/colbuilder tut (#394)
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* move files and make file naming more consistent

* add genion prompt answer

* improve kimmdy run setup section

* add sentence about checkpoints

* refactor plumed file

* chore(docs): render docs

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Co-authored-by: Eric Hartmann <hartmaec@rh05659.villa-bosch.de>
Co-authored-by: github-actions[bot] <github-actions[bot]@users.noreply.github.com>
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3 people committed Feb 28, 2024
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2 changes: 1 addition & 1 deletion docs/guide/explanation/index.html
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Expand Up @@ -537,7 +537,7 @@ <h1 class="title">Explanations</h1>
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<a href="../../guide/explanation/topology.html" class="title listing-title">Visualize Topologies</a>
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10 changes: 5 additions & 5 deletions docs/guide/how-to/index.html
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Expand Up @@ -537,39 +537,39 @@ <h1 class="title">How-To</h1>
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<tr data-index="1" data-listing-file-modified-sort="1709129553918" data-listing-reading-time-sort="1" data-listing-title-sort="Examples" data-listing-filename-sort="examples.qmd">
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<tr data-index="2" data-listing-file-modified-sort="1709062041706" data-listing-reading-time-sort="1" data-listing-title-sort="High Performance Computing" data-listing-filename-sort="hcp.qmd">
<tr data-index="2" data-listing-file-modified-sort="1709129553918" data-listing-reading-time-sort="1" data-listing-title-sort="High Performance Computing" data-listing-filename-sort="hcp.qmd">
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<a href="../../guide/how-to/hcp.html" class="title listing-title">High Performance Computing</a>
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<span class="listing-author">&nbsp;</span>
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<tr data-index="3" data-listing-file-modified-sort="1709062041706" data-listing-reading-time-sort="1" data-listing-title-sort="Install Machine Learning Plugins" data-listing-filename-sort="install-ml-plugins.qmd">
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<a href="../../guide/how-to/install-ml-plugins.html" class="title listing-title">Install Machine Learning Plugins</a>
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<tr data-index="4" data-listing-file-modified-sort="1709062041706" data-listing-reading-time-sort="1" data-listing-title-sort="Reaction only" data-listing-filename-sort="reaction_only.qmd">
<tr data-index="4" data-listing-file-modified-sort="1709129553918" data-listing-reading-time-sort="1" data-listing-title-sort="Reaction only" data-listing-filename-sort="reaction_only.qmd">
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<a href="../../guide/how-to/reaction_only.html" class="title listing-title">Reaction only</a>
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134 changes: 82 additions & 52 deletions docs/guide/tutorials/colbuilder.html

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2 changes: 1 addition & 1 deletion docs/guide/tutorials/getting-started.html
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Expand Up @@ -603,7 +603,7 @@ <h2 class="anchored" data-anchor-id="setup-the-simulation">Setup the Simulation<
<p>Our starting structure is a simple ACE/NME-capped Alanine molecule in a box of water. Note, how it has a missing hydrogen atom on the alpha carbon. This is a radical. We will use the builtin <code>hat_reaction</code> to simulate hydrogen atom transfer reactions from nearby hydrogens to the radical position.</p>
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viewer.loadSnapshotFromUrl(url="./getting-started-files/vis-ala.molj", "molj"); });
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6 changes: 3 additions & 3 deletions docs/guide/tutorials/index.html
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Expand Up @@ -507,7 +507,7 @@ <h1 class="title">Tutorials</h1>

<div class="quarto-listing quarto-listing-container-default" id="listing-listing">
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<p><a href="../../guide/tutorials/getting-started.html"> <img src="../../guide/tutorials/img/getting-started-vmd-radicals.png" class="thumbnail-image"> </a></p>
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<p><a href="../../guide/tutorials/colbuilder.html"> <img src="../../guide/tutorials/img/colbuilder.png" class="thumbnail-image"> </a></p>
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<p><a href="../../guide/tutorials/write-plugin.html"> <div class="listing-item-img-placeholder card-img-top" >&nbsp;</div> </a></p>
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