[gmx-users] Exceeding of Maximum allowed number of DD cells
ckutzne at gwdg.de
Mon Jan 11 10:24:41 CET 2010
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:
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