[gmx-users] About Surface tension in lipid simulation.....

[rama david]

Hi Gromacs Friends,

I completed the Justin Protein KALP  - lipid tutorial ...

 I  want to simulate the DPPC lipid bilayer membrane under
 Stress condition ( Lateral  tension = 20 mNm/m)..

 For stress condition I made the following npt.mdp

; Temperature coupling is on
tcoupl           = Berendsen            ; More accurate thermostat
tc-grps          = Protein DPPC    SOL_CL    ; three coupling groups
more accurate
tau_t            = 0.1    0.1    0.1            ; time constant, in ps
ref_t             = 323     323    323            ; reference
temperature,one for each group,
; Pressure coupling is on
pcoupl           =  Berendsen        ; Pressure coupling on in NPT
pcoupltype      =  ??????????            ; uniform scaling of x-y box
vectors, independent z
tau_p           = 0.5                    ; time constant, in ps
ref_p           =  -30.0    1.0                ; reference pressure, x-y,
z (in bar)
compressibility  = 5.0e-5    5.0e-5    ; isothermal compressibility, bar^-1


What pcoupl type Should be used Semisotropic or Surface tension..???? and why???

Thank you in advance...

With Best Wishes and regards ,
Rama.