[gmx-users] Computing dielectric relaxation properties of solutions
David van der Spoel
spoel at xray.bmc.uu.se
Tue Mar 22 15:11:27 CET 2016
On 22/03/16 14:37, Roberto Olmi wrote:
> Dear gmx-users,
> I apologize for insisting, but it seems strange to me that nobody
> of you has ever been involved in computing the dielectric relaxation
> properties of a solution (or simply of water).
> It appears that nobody gets the same error (smallbin double linked list
> corrupted) I obtain when using the "gmx dielectric" command after a "gmx
> dipoles" analysis.
> I would be very grateful also of a positive answer like "yes, I use it
> and it works well". I have posted this "probable" bug also to
> gmx-developers (without any answer, up to now).
If you suspect something is wrong please upload a bug report at
http://redmine.gromacs.org and assign it to me.
I'm afraid not many people use this tool.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
More information about the gromacs.org_gmx-users