From 9ab11979ba84d7b2b0dbe018dccc8425a820f51f Mon Sep 17 00:00:00 2001 From: Alyssa Travitz Date: Wed, 4 Dec 2024 07:38:32 -0800 Subject: [PATCH] removing box vectors from 2.3 --- showcase/openfe_showcase.ipynb | 9 ++------- 1 file changed, 2 insertions(+), 7 deletions(-) diff --git a/showcase/openfe_showcase.ipynb b/showcase/openfe_showcase.ipynb index 881cfa7..977203e 100644 --- a/showcase/openfe_showcase.ipynb +++ b/showcase/openfe_showcase.ipynb @@ -1020,17 +1020,12 @@ "along an alchemical network which are connected by edges which carry out\n", "calculations along Alchemical states to get free energies.\n", "\n", - "`ChemicalSystems` take in three different things:\n", + "`ChemicalSystems` take in:\n", "\n", "1. A dictionary of the chemical components (e.g. `SmallMoleculeComponent`,\n", " `ProteinComponent`, `SolventComponent`) defining the system.\n", "\n", - "\n", - "2. Box vectors (optional), defining the shape and size of the unit cell of the\n", - " system.\n", - "\n", - "\n", - "3. An identifier name (optional), for the `ChemicalSystem`. This is used as part\n", + "2. An identifier name (optional), for the `ChemicalSystem`. This is used as part\n", " of the hash identifier of the `ChemicalSystem`, and can help distinguish between\n", " otherwise comparable systems." ]