diff --git a/docker/Dockerfile b/docker/Dockerfile index e1d3308..66b3f44 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -15,7 +15,7 @@ RUN conda install -y -c conda-forge \ nglview=4.0.1 \ ipywidgets=8.1.9 RUN pip install --no-cache-dir \ - mdtraj==1.11.1 + mdtraj==1.11.1 \ mdplus==0.1.2 COPY docker/fix-nglview.sh /tmp/fix-nglview.sh