On Jan 10, 2010, at 4:24 PM, Chao Zhang wrote: > Dear GMX-Users, > > I'm testing my 256 full hydrated lipid on blue gene. The purpose is to find > out the right number for "-npme", as mdrun can not estimate itself > successfully. You might find g_tune_pme useful, which is available in the git repository or here for version 4.0.x: http://www.mpibpc.mpg.de/home/grubmueller/projects/MethodAdvancements/Gromacs/Download/g_tune_pme_tar.tgz
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