[gmx-developers] define eam potential in gromacs

Christoph Junghans junghans at votca.org
Thu Jan 31 18:03:22 CET 2013

2013/1/31 Hamid Mosaddeghi <hamid592004m at yahoo.com>:
> Dear Developers
> I need to use metal potential in gromacs.
> how use EAM potential in gromacs? is it possible or not?
No, EAM is not possible right now and as it is effectively a 3-body
potential, it will also be relatively hard to implement in Gromacs.


> Best of Luck
> Hamid Mosaddeghi
> --
> View this message in context: http://gromacs.5086.n6.nabble.com/define-eam-potential-in-gromacs-tp5005040.html
> Sent from the GROMACS Developers Forum mailing list archive at Nabble.com.
> --
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-developers-request at gromacs.org.

Christoph Junghans
Web: http://www.compphys.de

More information about the gromacs.org_gmx-developers mailing list