diff --git a/docker/Dockerfile b/docker/Dockerfile index a60c4c0..4dd4fbb 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -13,7 +13,7 @@ RUN mamba install -y -c conda-forge \ conda-forge::openff-toolkit-examples>=0.19.0 \ conda-forge::openff-interchange>=0.5.4 \ conda-forge::ambertools>=26.3 \ - conda-forge::MDAnalysis=2.10.0 \ + conda-forge::MDAnalysis=2.11.0 \ conda-forge::prolif=2.2.3 \ conda-forge::py3dmol=2.5.4 \ conda-forge::rdkit=2024.09.6 \