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lines changed Original file line number Diff line number Diff line change @@ -52,12 +52,12 @@ format as the existing proteins.
5252
5353Optional parameters ``--gskip `` and ``--burnin `` can be used to control the
5454Gibbs sampler processing. The ``--gskip `` parameter specifies the skip interval
55- for decorrelated samples (default: 1000 ), while ``--burnin `` sets the number
55+ for decorrelated samples (default: 100 ), while ``--burnin `` sets the number
5656of initial samples to discard during equilibration (default: 10000). The
5757default values are taken from the `research paper <https://doi.org/10.1021/acs.jctc.4c01522 >`_. ::
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5959 python -m basicrta.cluster --niter 110000 --nproc 3 --cutoff 7.0 --prot b2ar \
60- --gskip 1000 --burnin 10000
60+ --gskip 100 --burnin 10000
6161
6262``basicrta.cluster `` will process the Gibbs samplers, compute :math: `\tau ` for
6363each residue, plot :math: `\tau ` vs resid, and write the data to ``tausout.npy ``
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