[gmx-users] What is 'rest' in g_energy

[David van der Spoel]

On Thu, 2004-11-11 at 10:24 +0200, Markus O Kaukonen wrote:
> Dear All,
> 
> I define in .mdp file:
> 
> >energygrps               = HER HEA r_239
> >energy_grp_excl          = HER HER HEA HEA r_239 r_239
> 
> The after md one runs g_energy.
> 
> Question: What is the group 'rest' in the g_energy input?
you define three groups for energy, rest is everything else.

> Example:
> HEA-rest :
> A) Is it the interaction between HEA and rest of the protein ?
> B) Is it interaction between HEA and (HER + r_239)?
> C) Something else?
> 
> Terveisin, Markus
> 
> 
> 
-- 
David van der Spoel <spoel at xray.bmc.uu.se>