On 04/11/17 19:19, Faezeh Pousaneh wrote:
Hi,
I have an uncharged atom, and I would like to give it a dipole. Any
suggestion?
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.
http://www.icm.uu.se
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