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AMBER: Difference between revisions
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You can modify scripts to fit your simulation requirements for computing resources. See [[Running jobs]] for more details. | You can modify scripts to fit your simulation requirements for computing resources. See [[Running jobs]] for more details. | ||
==Performance and benchmarking== | ==Performance and benchmarking== <!--T:69--> | ||
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A team at [https://www.ace-net.ca/ ACENET] has created a [https://mdbench.ace-net.ca/mdbench/ Molecular Dynamics Performance Guide] for Alliance clusters. | A team at [https://www.ace-net.ca/ ACENET] has created a [https://mdbench.ace-net.ca/mdbench/ Molecular Dynamics Performance Guide] for Alliance clusters. | ||
It can help you determine optimal conditions for AMBER, GROMACS, NAMD, and OpenMM jobs. The present section focuses on AMBER performance. | It can help you determine optimal conditions for AMBER, GROMACS, NAMD, and OpenMM jobs. The present section focuses on AMBER performance. | ||