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AMBER: Difference between revisions
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2. MMPBSA.py from amber/18-10-18.11 and amber/18.14-18.17 modules | 2. MMPBSA.py from amber/18-10-18.11 and amber/18.14-18.17 modules cannot perform PB calculations. Use more recent amber/20 modules for this type of calculations. | ||
==Job submission examples== <!--T:37--> | ==Job submission examples== <!--T:37--> | ||
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==Performance== <!--T:49--> | ==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] | 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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