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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== | ==Performance== <!--T:49--> | ||
For a quick estimate of the time and resources required for a simulation, visit our new Molecular Dynamics Performance Guide[https://mdbench.ace-net.ca]. or follow direct links to AMBER benchmarks below. | For a quick estimate of the time and resources required for a simulation, visit our new Molecular Dynamics Performance Guide[https://mdbench.ace-net.ca]. or follow direct links to AMBER benchmarks below. | ||
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View benchmarks of simulations with PMEMD[http://localhost:8000/mdbench/bform/?software_contains=PMEMD&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=6n4o] | View benchmarks of simulations with PMEMD[http://localhost:8000/mdbench/bform/?software_contains=PMEMD&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=6n4o] | ||
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View benchmarks of QM/MM simulations with SANDER.QUICK [http://localhost:8000/mdbench/bform/?software_contains=&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=4cg1]. | View benchmarks of QM/MM simulations with SANDER.QUICK [http://localhost:8000/mdbench/bform/?software_contains=&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=4cg1]. | ||
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