[gmx-users] dielectric constant along specific direction
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jan 17 20:25:31 CET 2018
Den 2018-01-17 kl. 19:39, skrev Iman Ahmadabadi:
> Dear Gromacs users,
>
> Does the gromacs have the ability to compute the dielectric constant along
> a specific direction (for example x axis)?
>
> Sincerely
>
You can easily do that manually from the Mtot.xvg file. Whether it means
something is for you to determine.
--
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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