[gmx-users] A. - Vol. / lipid & associated errors

[Nuno R. L. Ferreira]

> > Why the area per lipid and not the V. per lipid, as I "suggested"
> > above?
>
> Because you can't really change the density of a condensed system
> significantly by scaling. As an example, if you take a water box of
> 2*2*2 nanometers and change it to 4*4*4 nanometers the system will
> equilibrate to 'islands' of water with vacuum between, instead of
> uniform 1/8 density.
>
> In other words: you'll have to live with whatever volume/lipid your
> forcefield reproduces.

Understood.

>
> No idea what you mean here. I would recommend coupling xy and z
> pressures separately, and let the area/lipid change freely during your
> simulation. That's what happens in reality since the lipids are part of
> a much larger patch.
>

Long sentences, increases the probability of making mistakes. ;)
It was kind of an academic question.  So, it does not matter for what I'm 
searching for.
Thank you Erik.
Regards,
Nuno


**********************************************
Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica 
Departamento Química
Universidade de Coimbra
Portugal
www.biolchem.qui.uc.pt
**********************************************
"Do not worry about your difficulties in maths.
 I can assure you that mine are still greater."
                                   emc2