[gmx-users] Basic Query

Martin Höfling martin.hoefling at gmx.de
Wed Jun 20 20:54:24 CEST 2007

Am Mittwoch, 20. Juni 2007 schrieb Mark Abraham:

> As you'd see by reading sections 4.9 and 7.3.9 of the manual, Martin's
> statement isn't right. The grid dimensions are controlled by the two
> parameters he mentioned, but there are plenty of other parameters that
> influence PME.

Oh, I didn't checked 4.9. Then of course rlist makes sense too for coulomb 
interactions with PME.

> Set it specifically, so that you don't have to remember what the default
> is in a year's time.

... and look in your own mdp file before making statements :-)


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