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Original file line number | Diff line number | Diff line change |
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@@ -12,7 +12,7 @@ RUN yum -y update \ | |
&& pip3 install numpy \ | ||
&& pip3 install cython numpy pandas \ | ||
&& pip3 install MDAnalysis \ | ||
&& pip3 install git+https://github.com/mdtraj/[email protected] | ||
&& pip3 install mdtraj | ||
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||
RUN useradd -ms /bin/bash plumed | ||
USER plumed | ||
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