Radius for MM kinds when doing GEEP QM/MM

Yingchun Zhang zhangyin... at 126.com
Mon Nov 20 07:00:49 CET 2017


hi, junbo
have a look at this paper, page 2

Laino, T., Mohamed, F., Laio, A. and Parrinello, M. (2005) An Efficient 
Real Space Multigrid QM/MM Electrostatic Coupling. Journal of Chemical 
Theory and Computation 1, 1176-1184.


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