[gmx-users] slow speed

Jochen Hub jochen at xray.bmc.uu.se
Fri Apr 16 13:25:42 CEST 2010

> nstlist                  = 50
> ; ns algorithm (simple or grid) =
> ns_type                  = grid

Oups, you are dong neighbor searching only every 50fs. Are you sure this 
is what you want? If you have a biological system this is probably not 
often enough. In biological systems people typically do neighbor 
searching every 10 to 20 fs.


Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755

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