[gmx-users] Re: large scale simulation?

Albert mailmd2011 at gmail.com
Sat Mar 31 06:40:17 CEST 2012

Hi guys:

   thank you very much for your kind comments. Probably the most 
effective way is to optimize PME balance as Mark mentioned.  It seems 
that Mark's methods improved much much better for the speed.
   If possible, could Mark share your experience how did you optimize 
the PME balance in Gromacs? Probably each of us can learn a lot from you.

thank you very much
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