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KTH Royal Institute of Technology
GROMACS
Container
KTH Royal Institute of Technology
GROMACS

GROMACS is a popular molecular dynamics application used to simulate proteins and lipids.

LayerLabelCreated
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
/usr/bin/nvidia_entrypoint.sh
11/13/2017 6:53 PM UTC
sha256:1d063417a977a3c0291fd73da8fb3b7db8fab1445e86264fd4537330fe54fa85COPY
file:7f98210fdca717d5a74e77edebd513ff7a2c747d4bf7042d108c405c66ceadfc in /usr/bin/.
11/13/2017 6:53 PM UTC
sha256:513bce5fa11b685b291e549b00f3ff9f48f78bde793e5c49861849cd82e2e06cRUN
chmod -R a+w /workspace
11/13/2017 6:53 PM UTC
sha256:6d7c62ec6aa2873348a9710756bfb3bff2e69a2fc42f0ae6b420c6da5e202b50COPY
dir:edbf7ddb5bdf0e8dafc863724cf816407f6265c343fac0ed20defbcd0cfeb9e2 in .
11/13/2017 6:53 PM UTC
sha256:37c854d72d33e2c932ea11aeaa4892aa214a9a24996041bcdfb85328b8a2c8cdCOPY
file:6e2bb6e10863703e5af0b8c0ee32dd6fce3470e4c69669581ded4ba96be564b8 in .
11/13/2017 6:53 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4WORKDIR
/workspace
11/13/2017 6:53 PM UTC
sha256:3dc53930a7e5a6de2e1d900d14f2dd5ec7dabc4e436a30e089c8df39df9a8b2dRUN
tar -xvf ADH_bench_systems.tar.gz &&
  rm *.gz
11/13/2017 6:53 PM UTC
sha256:f545a26b5ae0db22e389f52788dbcaa4b83ee0da08902874c02d004ff5de5cbeRUN
wget -nv http://ftp.gromacs.org/pub/benchmarks/ADH_bench_systems.tar.gz
11/13/2017 6:53 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4WORKDIR
/workspace/data
11/13/2017 6:51 PM UTC
sha256:dfc976f769e3ef9d755037caa03ac0619c8d5a22049805ab68ec23e136b0f6d9RUN
mkdir -p /workspace/data
11/13/2017 6:51 PM UTC

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