[gmx-users] Long range interaction energy of charged particles with PME - GMX 3.3.1

[David Mobley]

David,


> Just for your information, Erik and I are writing this up in the context
> of free energy calculations. We could probably upload a draft to arXiv.

Please do! This is something we're very interested in; if there is
some way to properly handle these right now, we will probably use it.

Thanks!
David

> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,          75124 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
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