[gmx-users] regarding charge group

Mark Abraham mark.j.abraham at gmail.com
Tue Oct 22 10:40:58 CEST 2013

Probably, make your broken molecules whole before passing them to grompp.


On Tue, Oct 22, 2013 at 8:26 AM, Sathish Kumar <sathishk238 at gmail.com>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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