[gmx-users] (no subject)

Erik Marklund erikm at xray.bmc.uu.se
Mon May 6 13:08:34 CEST 2013

I really don't think thats possible at the moment. All interactions in Reax, if I recall correctly, are dependent on bond order, which is not an implemented concept in gromacs.


On 6 May 2013, at 12:51, Sathish Kumar <sathishk238 at gmail.com> wrote:

> hai
>         i would like to use Reax force field,can we use reax force field
> in gromacs and if any one please tell to me weather reax ff is useful for
> protein
> -- 
> regards
> M.SathishKumar
> -- 
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