Hi all, <br><br> I am planing to use Gromacs for the simulation of my system, for which the non-bonded interaction potential has the polarization term <br>as -Dij/(rij**4) in addition to the Bucking ham potential and electrostatic interactions. So the non-bonded potential will appear as <br>
<br> 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 <br>How can I handle this kind of potentials in gromacs ? Can I use tabulated potential for this ? <br>
<br>Please help me in this regard,<br><br>Thank you in advance.<br><br>Regards,<br>Ramesh Cheerla. <br>