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Update fit_a_dihedral_with_Gaussian_and_write_all_files.rst
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bc118 authored Aug 18, 2024
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Expand Up @@ -44,7 +44,7 @@ Import the required packages.
.. code:: ipython3
import unyt as u
#from mosdef_dihedral_fit.dihedral_fit.fit_dihedral_with_gomc import fit_dihedral_with_gomc
from mosdef_dihedral_fit.dihedral_fit.fit_dihedral_with_gomc import fit_dihedral_with_gomc
import os
Select the desired variables, file, and set the temperature.
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