[gmx-users] separating bilayer leaflets - POPC vs. DMPC and DPPC

[Ramachandra Rao Gullapalli]

If you can prescribe an area and run the bilayer for some time (1-2 ns) in a
constant area, constant pressure ensemble, and then switch to semiisotropic
pressure coupling, this could fix it.  


Dear Dr Bostick,
I quite don t understand what you mean by a constant area,constant pressure
ensemble. Do you mean you assign parameters of 0.0 and 4.5e-5 compressibility
in xy and z respectively under semiisotropic coupling for constant area and
constant pressure? 

And then you shift to 4.5e-5 and 4.5e-5 compressibility in xy and z respectively
for a "proper" semiisotropic coupling?

I was confused regarding this point when you had replied to my earlier question
last month.

Thank you for your time
Regards
Rama






The important thing is not to stop questioning. Curiosity has its own reason for existing...
-Einstein