Skip to content

Commit

Permalink
Update README installation instructions [ci skip]
Browse files Browse the repository at this point in the history
  • Loading branch information
fjclark committed Jun 17, 2024
1 parent 0307415 commit c5724fa
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -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 .
```

Expand Down

0 comments on commit c5724fa

Please sign in to comment.