diff --git a/docker/Dockerfile b/docker/Dockerfile index eb7404a..dcb7cb0 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -15,7 +15,7 @@ RUN conda install -y -c conda-forge \ conda-forge::scipy=1.18.1 \ conda-forge::ipywidgets=8.1.9 RUN pip install --no-cache-dir \ - mdtraj==1.11.1.post2 \ + mdtraj==1.11.2 \ mdplus==0.1.2 \ rlcluster==0.0.5