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.
Jochen
--
---------------------------------------------------
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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