[gmx-users] Pressure Coupling for Lipid Bilayers

Arneh Babakhani ababakha at mccammon.ucsd.edu
Thu May 11 18:05:15 CEST 2006


Would the following be a reasonable way to implement semiisotropic 
pressure coupling, for a 128 DMPC membrane:

; Pressure coupling is on
Pcoupl = berendsen
pcoupltype = semiisotropic
tau_p = 1.0 1.0
compressibility = 4.5e-5 1.0e-30
ref_p = 1.0 1.0

[I'm not asking whether this will produce the right membrane 
properties.  I know there's some trial & error involved in this. I'm 
just wondering if this is one possible way to use pressure]. 



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