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Deployed 5364c32 to latest with MkDocs 1.6.1 and mike 2.1.2
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actions-user committed Dec 14, 2024
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5 changes: 2 additions & 3 deletions latest/migration/index.html
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Expand Up @@ -2045,9 +2045,8 @@ <h4 id="md">MD<a class="headerlink" href="#md" title="Permanent link">#</a></h4>
<li>Ligand force field parameters no longer need to be provided. The <a class="autorefs autorefs-internal" href="../reference/md/config/#femto.md.config.Prepare">femto.md.config.Prepare</a> configuration now
exposes a <code>default_ligand_ff</code> field that can be used to automatically parameterize ligands with an OpenFF based
force field.</li>
<li>The labelling of atoms in Boresch restraints has been updated to be more consistent with the literature, and also
properly documented. See the <a class="autorefs autorefs-internal" href="../reference/md/restraints/#femto.md.restraints.create_boresch_restraint">femto.md.restraints.create_boresch_restraint</a> for more information on the exact
definition of the distances, angles, and dihedrals that will be restrained.</li>
<li>HREMD now correctly stores coordinates as <code>coords[i] = replica_i_coords</code> rather than <code>coords[i] = state_i_coords</code>.
Checkpoints from previous versions will likely be incorrect.</li>
</ul>
<h4 id="fe">FE<a class="headerlink" href="#fe" title="Permanent link">#</a></h4>
<ul>
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2 changes: 1 addition & 1 deletion latest/search/search_index.json
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80 changes: 40 additions & 40 deletions latest/sitemap.xml
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Expand Up @@ -2,162 +2,162 @@
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