[CP2K-user] [CP2K:19406] QMMM in cp2k

[D Y]

Hello everyone,
  I want to study small molecule (e.g. methyl formate) adsorbed on metal 
slab using QM/MM method. however, i encourt some problems when i set 
parameters for non-bonded interaction, e.g. for Au-C interaction. I want to 
set modified Born-Mayer potential to describe these non-bonded interaction, 
but i don't know how to access these parameter: A, rho, and C in the 
equation. could you give me some advices?
&GENPOT
         atoms Au C
         FUNCTION A*exp(-r/rho)-C/r^6/(1+exp(-20*(r/6.46 -1)))
         VARIABLES r
         PARAMETERS A rho C
         VALUES ${Ac} ${rhoc} ${Cc}
         RCUT  15
      &END GENPOT

Thanks in advance!
DY

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