> On Wed, Dec 8, 2010 at 4:01 AM, Sascha Hempel > <sascha.hem...@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. > The LJ Equation is 4 * eps * ( (sig/r)**12 - (sig/r)**6). If I either set sigma or epsilon to zero the Potential will become zero for all r > > 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 > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before > posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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