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AMBER: Difference between revisions
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| Line 102: | Line 102: | ||
srun pmemd.MPI -O -i input.in -p topol.parm7 -c coord.rst7 -o output.mdout -r restart.rst7 | srun pmemd.MPI -O -i input.in -p topol.parm7 -c coord.rst7 -o output.mdout -r restart.rst7 | ||
}} | }} | ||
=== QM/MM distributed multi-GPU job === | === QM/MM distributed multi-GPU job === | ||