diff --git a/docker/Dockerfile b/docker/Dockerfile index 0145290..ec15849 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -14,7 +14,7 @@ RUN conda install -y -c conda-forge \ conda-forge::numpy=2.5.3 \ conda-forge::ipywidgets=8.1.9 RUN pip install --no-cache-dir \ - mdtraj==1.11.1.post2 + mdtraj==1.11.2 COPY --chown=1000:100 . . RUN rm -rf AUTHORS LICENSE README.md docker .git .github && \