[gmx-users] PME 3dc geometry and the optimal PME mesh load

Bert bert.ustc at gmail.com
Sun Sep 21 17:24:13 CEST 2008

Hi all,

I use 3dc geometry for a system with large box size in z direction, and when
I try the new CVS version, I find a note saying "The optimal PME mesh load
is usually between 025 and 0.33, you should probably increase the cut-off
and the PME grid spacing". A quite large estimation 0.86 was reported in
grompp, and I wonder if I can do sth to speed up the simulation. Thanks for
your suggestions in advance.
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