Why to use a scaling factor for both vdw and electrostatics in QM/MM calculations

binju... at gmail.com binju... at gmail.com
Wed Jun 6 09:09:41 UTC 2018

I saw most of QM/MM input use the scaling factor for both vdw ( VDW_SCALE14 
0.5)  and  electrostatics  ( EI_SCALE14 0.8333333).
It is not clear to me why we need to do this, since we did not us the 
scaling factor in the classical MD, and the forcefield works well in the 
classical MD.
Now, we invoke the same forcefield in QM/MM calculation, but we need to 
scale the vdw and  electrostatics ?  Thanks!
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