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@SangniXun
SangniXun committed Aug 6, 2024
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Expand Up @@ -187,7 +187,7 @@ for more details about generate the force field for Fe(bpy)3 in customized solv

.. code-block:: bash
autosolvate boxgen_metal -m Febpy3.xyz -k 2 -u 1 -e orca -y 32 -d /opt/orca/5.0.2/orca -l dmso.off -p dmso.frcmod
autosolvate boxgen_metal -m Febpy3.xyz -k 2 -u 1 -e orca -y 32 -d /opt/orca/5.0.2/orca -l dmso.off -p dmso.frcmod -s d
The rest steps are the same with Example 2.

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