Re: [gmx-developers] Sutton–Chen potential in Gromacs

Christoph Junghans junghans at votca.org
Thu Feb 7 18:36:48 CET 2013


2013/2/7 Hamid Mosaddeghi <hamid592004m at yahoo.com>:
> is it possible use Sutton–Chen potential in gromacs?
I am sorry to tell you that the answer is the same as for the EAM
potential, we don't support it.

More general, Gromacs supports everything (functional or via tables)
which can be written in a pair-wise form - U_i = sum_j U_ij
Gromacs is open-source, so feel free to implement EAM or the
Sutton–Chen potential.


>
>
> Best Regards
>
>
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--
Christoph Junghans
Web: http://www.compphys.de



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