[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?
> Att.
> Diogo
We have done it and published the method in the supporting info of this 
paper http://pubs.acs.org/doi/abs/10.1021/ct400404q
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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