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

Nuno R. L. Ferreira nunolf at ci.uc.pt
Wed Jun 9 15:25:10 CEST 2004

> > 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.


> 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.

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

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