<h1>ERK2 WT, 55N, Q103M, and 55N-Q103M apo Folding@home simulations</h1>
<h2>Main project repository</h2>
<p>Additional project documentation, data, and scripts can be found here:</p>
<p><a href="https://github.com/choderalab/ERK-ancestral-materials" rel="nofollow">https://github.com/choderalab/ERK-ancestral-materials</a></p>
<h2>Trajectories without solvent</h2>
<p>The following Folding@home projects were analyzed for the manuscript, and are made available here without solvent:</p>
<p>11730:</p>
<ul>
<li>RUN2: ERK2 WT</li>
<li>RUN3: ERK2 55N (insertion)</li>
<li>RUN4: ERK2 Q103M</li>
<li>RUN5: ERK2 55N-Q103M</li>
</ul>
<p>The trajectory files are formatted as <code>run<RUN>-clone<CLONE>.h5</code>, with <code><RUN></code> indexing a set of trajectories of a given system (WT or mutant) started from the same conformation and <code><CLONE></code> denoting different replicates initiated from the same structure but different initial velocities.</p>
<p>These trajectories are stored in <a href="http://mdtraj.org/latest/hdf5_format.html" rel="nofollow">MDTraj HDF5 format</a>. This is a compact, platform-portable format that contains both topology information (atom names, connectivity, and residue information) and trajectory data. You can use the freely-available <a href="http://mdtraj.org" rel="nofollow">MDTraj</a> package to convert to other popular trajectory formats.</p>
