[gmx-users] Hard Spheres

Sascha Hempel sascha.hempel at bci.tu-dortmund.de
Wed Dec 8 13:01:12 CET 2010


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. 

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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