QMMM periodic input clarification

Ben Levine ben.l... at gmail.com
Thu Mar 27 17:36:42 UTC 2008


Hello,
I'm a little confused about how to input the parameters for the Ewald
summation for a periodic QMMM calculation.  It seems that I can set up
the Ewald summation in the FORCE_EVAL%MM%POISSON section, but there is
also a keyword FORCE_EVAL%QMMM%PERIODIC%GMAX.  In the context of a
QMMM calculation what is the meaning of these two sections?  Thanks.

Ben


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