[gmx-users] separating bilayer leaflets - POPC vs. DMPC and DPPC
Ramachandra Rao Gullapalli
rrg142 at psu.edu
Fri Sep 9 20:18:03 CEST 2005
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
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
Thank you for your time
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