Hi all, I am planing to use Gromacs for the simulation of my system, for which the non-bonded interaction potential has the polarization term as -Dij/(rij**4) in addition to the Bucking ham potential and electrostatic interactions. So the non-bonded potential will appear as
U(r)NB = A exp( -rij B) - C/rij**6 - D/rij**4 + qiqj/rij Here the units for the polarization term is nm^4 Kcal/mol How can I handle this kind of potentials in gromacs ? Can I use tabulated potential for this ? Please help me in this regard, Thank you in advance. Regards, Ramesh Cheerla.
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