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AMBER: Difference between revisions
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==Introduction== <!--T:1--> | ==Introduction== <!--T:1--> | ||
Amber is the collective name for a suite of programs that allow users to perform molecular dynamics simulations, particularly on biomolecules. None of the individual programs carry this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations. | [https://ambermd.org/ Amber] is the collective name for a suite of programs that allow users to perform molecular dynamics simulations, particularly on biomolecules. None of the individual programs carry this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations. | ||
==Running Amber 18== <!--T:8--> | ==Running Amber 18== <!--T:8--> | ||
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=== Non-GPU versions === | |||
module load gcc/5.4.0 openmpi/2.1.1 amber/18 scipy-stack/2019a | module load gcc/5.4.0 openmpi/2.1.1 amber/18 scipy-stack/2019a | ||
or | or | ||
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=== GPU versions === | |||
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=== Known issues === | |||
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