[gmx-users] Implementation of 12-6-4 non-bonded Potential in GROMACS

[Biswajit Sadhu]

Dear All,
           I like to use 12-6-4 LJ potential for my metal of interest.
Here, apart from standard LJ terms,an 1/r^4 term is used to describe the
ion-induced dipole interaction (as described in the following paper : *The
Journal of Physical Chemistry B*, *119*(3), 883-895.).
          The authors have used AMBER for their calculations. I was
wondering whether it is possible to implement the 12-6-4 potential in
GROMACS platform.
          While searching in internet, I found a link on implementation of
used defined non-bonded parameters in GROMACS (
http://www.gromacs.org/@api/deki/files/94/=gromacs_nb.pdf). It would be a
great help if anybody suggest something on the implementation of 12-6-4
Potential in GROMACS platform.


Regards,
Biswajit