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add docs for --gskip and --burnin
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docs/source/tutorial.rst

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@@ -50,6 +50,15 @@ plot that correspond to the TM segments of the protein (figures 7-10). Your
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protein can be added to ``basicrta/basicrta/data/tm_dict.txt`` in the same
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format as the existing proteins.
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Optional parameters ``--gskip`` and ``--burnin`` can be used to control the
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Gibbs sampler processing. The ``--gskip`` parameter specifies the skip interval
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for decorrelated samples (default: 1000), while ``--burnin`` sets the number
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of initial samples to discard during equilibration (default: 10000). The
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default values are taken from the `research paper <https://doi.org/10.1021/acs.jctc.4c01522>`_. ::
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python -m basicrta.cluster --niter 110000 --nproc 3 --cutoff 7.0 --prot b2ar \
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--gskip 1000 --burnin 10000
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``basicrta.cluster`` will process the Gibbs samplers, compute :math:`\tau` for
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each residue, plot :math:`\tau` vs resid, and write the data to ``tausout.npy``
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(see next section). If a structure is passed to the script, the b-factors of the

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