[gmx-users] dipole on an atom
fpoosaneh at gmail.com
Sun Nov 5 15:55:02 CET 2017
So I guess the only solution can be:
I take two small ions bring them inside original atom, parametrize their
interactions with each other and the initial atom such that they stick
inside the atom.
What do you think?
On Sun, Nov 5, 2017 at 3:42 PM, David van der Spoel <spoel at xray.bmc.uu.se>
> On 04/11/17 19:19, Faezeh Pousaneh wrote:
>> I have an uncharged atom, and I would like to give it a dipole. Any
> impossible in gromacs.
>> Best regards
> David van der Spoel, Ph.D., Professor of Biology
> Head of Department, Cell & Molecular Biology, Uppsala University.
> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
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