Hi,

I am trying to calculate binding energy of some compounds on goethite (material studio id : mp-605437) surface using Forcite module. I have edited the dreiding ff so that it contains all missing parameters (bond, angle, torsion). My problem is when I start take into account electrostatic interactions (via QEq charge assignment) job fails with error -4e charge. This is anaomolus since goethite crystal is charge neutral. Any solutions for this will be most appreciated.