From c5724fa79e09bb0b7a45ba19ab330547078ca48f Mon Sep 17 00:00:00 2001 From: finlayclark Date: Mon, 17 Jun 2024 15:34:32 +0100 Subject: [PATCH] Update README installation instructions [ci skip] --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 2d7a22c..dcf434e 100644 --- a/README.md +++ b/README.md @@ -13,13 +13,13 @@ a3fe ### Installation -a3fe depends on SLURM for scheduling jobs, and on GROMACS for running initial equilibration simulations. Please ensure that your have sourced your GMXRC or loaded your GROMACS module before proceeding with the installation. +a3fe depends on SLURM for scheduling jobs, and on GROMACS for running initial equilibration simulations. Please ensure that your have sourced your GMXRC or loaded your GROMACS module before proceeding with the installation. While we recommend installing with [mamba](https://mamba.readthedocs.io/en/latest/installation/mamba-installation.html), you can substitute `mamba` with `conda` in the following commands. Now, download and install a3fe: ```bash git clone https://github.com/michellab/a3fe.git cd a3fe -mamba mamba env create -f environment.yml +mamba env create -f environment.yml python -m pip install --no-deps . ```