From 25e950d8070a14247e4cbd280bb3a19774fe3638 Mon Sep 17 00:00:00 2001 From: Josh Horton Date: Tue, 22 Oct 2024 11:43:31 +0100 Subject: [PATCH] fix typo --- cookbook/bespoke_parameters_showcase.ipynb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/cookbook/bespoke_parameters_showcase.ipynb b/cookbook/bespoke_parameters_showcase.ipynb index 5af6b01..c565740 100644 --- a/cookbook/bespoke_parameters_showcase.ipynb +++ b/cookbook/bespoke_parameters_showcase.ipynb @@ -9,7 +9,7 @@ "This tutorial gives a step-by-step guide on the use of OpenFF-BespokeFit generated force field parameters with OpenFE protocols. Here we will focus on relative\n", "binding free energy (RBFE) calculations, but this strategy can be used with any OpenMM-based OpenFE protocol. \n", "\n", - "Here we will assume you have succesfully planned your RBFE campaign using OpenFE by following the [showcase](http://try.openfree.energy/) or [RBFE tutorial](https://docs.openfree.energy/en/stable/tutorials/rbfe_cli_tutorial.html#rbfe-cli-tutorial) and will be using the `TYK2` test system in this example with the planned network provided for you at `assests/ligand_network.graphml`. You should have also already generated a set of bespoke parameters for your ligand series following the [BespokeFit production guide](https://docs.openforcefield.org/projects/bespokefit/en/latest/getting-started/quick-start.html#production-fits) and combined the parameters into a single SMIRNOFF style `offxml` file following the [gathering results guide](https://docs.openforcefield.org/projects/bespokefit/en/latest/users/bespoke-results.html)." + "Here we will assume you have succesfully planned your RBFE campaign using OpenFE by following the [showcase](http://try.openfree.energy/) or [RBFE tutorial](https://docs.openfree.energy/en/stable/tutorials/rbfe_cli_tutorial.html#rbfe-cli-tutorial) and will be using the `TYK2` test system in this example with the planned network provided for you at `assets/ligand_network.graphml`. You should have also already generated a set of bespoke parameters for your ligand series following the [BespokeFit production guide](https://docs.openforcefield.org/projects/bespokefit/en/latest/getting-started/quick-start.html#production-fits) and combined the parameters into a single SMIRNOFF style `offxml` file following the [gathering results guide](https://docs.openforcefield.org/projects/bespokefit/en/latest/users/bespoke-results.html)." ] }, { @@ -69,7 +69,7 @@ "\n", "# create the solvent and protein components\n", "solvent = openfe.SolventComponent()\n", - "protein = openfe.ProteinComponent.from_pdb_file(\"assests/tyk2_protein.pdb\")\n", + "protein = openfe.ProteinComponent.from_pdb_file(\"assets/tyk2_protein.pdb\")\n", "\n", "# follow the tutorial to create the AlchemicalNetwork\n", "transformations = []\n",