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AMBER: Difference between revisions
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Currently, AmberTools21 is available on all clusters. | Currently, AmberTools21 is available on all clusters. | ||
=== Non-GPU version === <!--T: | === Non-GPU version === <!--T:11--> | ||
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module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 | module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 | ||
source $EBROOTAMBERTOOLS/amber.sh | source $EBROOTAMBERTOOLS/amber.sh | ||
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Provides the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP | Provides the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP | ||
=== GPU version === <!--T: | === GPU version === <!--T:17--> | ||
<!--T:17--> | <!--T:17--> | ||