[gmx-users] What is the right way to get reasonable interfacial tension of surfactant at oil/water interface

[Klniu]

Very thank you for your suggestion and being so kind. I will write a new
detailed subject and explain my purpose.

On Sat, Jun 2, 2012 at 10:23 AM, Christopher Neale <
chris.neale at mail.utoronto.ca> wrote:

>  No, the point is that the equilibrium surface area is near zero in the context of PBC and you need
>
> special tricks to keep the system away from that equilibrium.
>
> There will always be a force toward reducing the surface area of the
>
> hydrophobic/hydrophilic interface. It is possible to disallow this force to cause system
>
> relaxation by using an incompressible Cartesian z (or x and y), but as soon as you let that go
>
> the system will then relax toward the tall and thin column of aliphatic chains.
>
> Perhaps you should return to the list with a detailed description of what
>
> you are trying to accomplish and you might get some help. I doubt that I can help that part,
>
> but there is likely somebody out there who can. Also, you will increase your chances of
>
> getting help from somebody like me (expert gromacs user who is totally ignorant of your
>
> particular field of study) by giving proper explanations of thing like the
>
> "interfacial tension of surfactant at oil/water interface". I know that it makes sense to you
>
> (and probably lots of other people), but I for one don't know exactly what you are trying to
>
> accomplish.
>
>
> Chris.
>
>
>
> -- original message --
>
> Dear Chris:
>
> Thank you for your help. Maybe I can try it as this. First set x and y
> fixed by setting compressibility = 0 4.5e-0.5 until the system
> reaching equilibrium and then release. If it sounds reasonable. I am
> trying to do it.
>
> Dear Hugh:
>
>
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