[gmx-users] Polarization term in non-boded potential - Regd

[ramesh cheerla]

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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