Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko
[unres.git] / examples / unres / new / MD / with_constrains / Berendsen / ff_gab / 1L2Y_MD_001.rst
diff --git a/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_001.rst b/examples/unres/new/MD/with_constrains/Berendsen/ff_gab/1L2Y_MD_001.rst
deleted file mode 100644 (file)
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