[gmx-users] Decomposing the long range term of interaction energy
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jan 18 15:48:39 CET 2015
On 2015-01-18 14:07, Diogo Martins de Sá wrote:
> I've been reading many tentatives of breaking down the long range term
> of interaction, but have not found a feedback if any actually worked. Is
> there a working method of achieving this?
We have done it and published the method in the supporting info of this
How useful it is depends on your system I guess.
Paper is interesting too :).
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
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