[gmx-users] Coul-SR:SOL-SOL

Xavier Periole X.Periole at rug.nl
Wed Sep 3 11:56:03 CEST 2008


On Wed, 3 Sep 2008 12:43:14 +0300
  Vitaly Chaban <chaban at univer.kharkov.ua> wrote:
> Hello,
> 
> Please give me a hint what 'SR' in
SR: short-range
LR: long-range
> Coul-SR:SOL-SOL
> 
> mean? It's in g_energy when it asks to select terms for analysis.
> 
> Is it a Coulomb term of interaction among SOL particles? And what's
> then 'rest' in
> Coul-SR:SOL-rest
> 
> Is it 'rest' for all other groups not defined in .mdp as energy groups?
> 
> Thanks.
> 
> --
> Vitaly
> 
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-----------------------------------------------------
XAvier Periole - PhD

Molecular Dynamics Group / NMR and Computation
University of Groningen
The Netherlands
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