[gmx-users] rlist cutoff question

4tejender 4tejender at indiatimes.com
Fri Nov 18 08:26:32 CET 2005


dear users
 what is optimal value of rlist and cut-off for columb and vdw i should use. If i have a simulation box of size 61.54,62.50,145.66 as suggested in manual it should be half of the smallest vector but it will come out to 0.31.Isn't it too large
  for diffusion studies which is more preffered either Stocastic dyanamics or brownian dyanamics.

thanks teje
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