[gmx-developers] define eam potential in gromacs
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
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