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icaoberg / singularity-gromacs

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singularity-hmmer

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Singularity recipe for GROMACS based on the containers released by NVIDIA.

Building the image using the recipe

To build the image locally

Run the script build.sh to build image locally.

bash ./build.sh

To build the image remotely

Run the script rbuild.sh to build image locally.

bash ./rbuild.sh

Copyright © 2020-2021 Pittsburgh Supercomputing Center. All Rights Reserved.

icaoberg at the Pittsburgh Supercomputing Center in the Mellon College of Science at Carnegie Mellon University.

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