[gmx-users] Zn parameterization
Mark Abraham
Mark.Abraham at anu.edu.au
Thu Jul 23 04:00:27 CEST 2009
Marc Charendoff wrote:
> Hello,
>
> I am curious - is there anyway to see what assumptions were made when parameterizing the Zn 2+ ion? Was it tetrahedrally or octahedrally coordinated? With waters only or with imidazoles? Do the different force fields make different assumptions? Guidance appreciated.
Without even knowing the force field to which you were referring, we
can't say anything other than to refer you to the primary literature for
that force field.
Mark
More information about the gromacs.org_gmx-users
mailing list