[gmx-users] Hard Spheres

[Amit Choubey]

On Wed, Dec 8, 2010 at 4:01 AM, Sascha Hempel <
sascha.hempel at bci.tu-dortmund.de> wrote:

> Hi all!
>
> I am trying to add some hard spheres to my simulation. As far as i can
> tell from the manual Gromacs supports only LJ or Buckingham for
> non-bonded interaction.
>

Why cant you use  LJ? By setting the attractive part equal to zero.


>
> Is there a way to add hard spheres to lets say a simulation of Water
> molecules without interfering into the regular water-water interaction?
>
> Thanks a lot in advance,
>
> Sascha
>
> TU Dortmund
> Laboratory of Thermodynamics
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