diff --git a/docker/Dockerfile b/docker/Dockerfile index 2c62828..80a855f 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -17,7 +17,7 @@ RUN conda install -y -c conda-forge \ conda-forge::numpy=2.3.3 \ conda-forge::scikit-learn=1.7.2 \ conda-forge::tqdm=4.67.1 \ - conda-forge::mdtraj=1.11.0 \ + conda-forge::mdtraj=1.11.1 \ conda-forge::iprogress=0.4 \ conda-forge::ipywidgets=8.1.9 \ conda-forge::gromacs=2026.3=nompi_*