[gmx-developers] define eam potential in gromacs

David van der Spoel spoel at xray.bmc.uu.se
Thu Jan 31 17:46:09 CET 2013


On 2013-01-31 12:21, Hamid Mosaddeghi wrote:
> Dear Developers
>
> I need to use metal potential in gromacs.
>
>
> how use EAM potential in gromacs? is it possible or not?
>
which potential?
functional form?
you can use tables but only pair-wise non-bonded interactions.
> 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.
>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se



More information about the gromacs.org_gmx-developers mailing list