From 70427b82bb37a6ef37aa79c8c9a42b212211209b Mon Sep 17 00:00:00 2001 From: Co Quach Date: Mon, 5 Feb 2024 14:27:29 -0500 Subject: [PATCH] switch the default back --- mbuild/compound.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mbuild/compound.py b/mbuild/compound.py index d255699a0..71a8986a4 100644 --- a/mbuild/compound.py +++ b/mbuild/compound.py @@ -2930,7 +2930,7 @@ def _energy_minimize_openbabel( def save( self, filename, - include_ports=True, + include_ports=False, forcefield_name=None, forcefield_files=None, forcefield_debug=False, @@ -2952,7 +2952,7 @@ def save( 'hoomdxml', 'gsd', 'gro', 'top', 'lammps', 'lmp', 'mcf', 'pdb', 'xyz', 'json', 'mol2', 'sdf', 'psf'. See parmed/structure.py for more information on savers. - include_ports : bool, optional, default=True + include_ports : bool, optional, default=False Save ports contained within the compound. forcefield_files : str, optional, default=None Apply a forcefield to the output file using a forcefield provided