[gmx-users] pressure coupling for lipid bilayer

[Xavier Periole]

Erik Lindahl wrote:>I think that saying there is no or negligible effect in
patch size is going>

> Yes - all the properties like order parameters, fraction of gauche
> bonds, average chain tilt
> and even area/lipid can be considered "generalized order parameters" -
> they are extremely
> coupled. That's why the it's a good idea to make sure the area is in the
> right ballpark, but
> how you get it there is less important :-)
>
> The dangerous part is when some authors argue that they do something to
> get the area/lipid
> correct (e.g. apply a surface tension), and since the resulting order
> parameters are good they
> consider it a "proof" that you should always use a surface tension,
> while in practice it would
> be almost impossible to have the wrong order parameters when the area is
> kept at the correct
> value ;-)

You are right. But that's a proof that they need it in the conditions they work.

I am more upset when I see people using the same surface tension when they
change of system, conditions etc ...

We basically agree :-)

Have a good one,
Xavier