From 3cceb02ff1b37fa043950ff608e4e68d5eca1cb9 Mon Sep 17 00:00:00 2001 From: SangniXun Date: Tue, 6 Aug 2024 14:49:04 -0400 Subject: [PATCH] update --- docs/tutorial_for_metalcomplexes.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/tutorial_for_metalcomplexes.rst b/docs/tutorial_for_metalcomplexes.rst index 42e2674..ae4871b 100644 --- a/docs/tutorial_for_metalcomplexes.rst +++ b/docs/tutorial_for_metalcomplexes.rst @@ -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.