Probably, make your broken molecules whole before passing them to grompp.
Mark
On Tue, Oct 22, 2013 at 8:26 AM, Sathish Kumar wrote:
> The sum of the two largest charge group radii (13.336) is larger
> than rlist(1.2) - rvdw/rcoulomb i am getting this error while running
> membrane simulations. please any one suggest how to rectify this error.
> --
> regards
> M.SathishKumar
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