Hi all
For a research project, I need to know how gromacs work/scale (especially gmx 4.0.4) in SGI ALTIX ICE 8200 EX machine cluster with Intel Quad-Core E5472. I want to simulate a molecular system (with 14 amino acid peptide +/- 5000 water molecules) in explicit conditions with PME and 32 - 64 CPU. I need only to have a (rough) estimation (in ns/day). Does somebody have an example? Thanks in advance for your help Stef
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