[gmx-users] Anisotropic Pressure

[Matteo Guglielmi]

Hello Folks,

Is there any difference between these two anisotropic pressure setup?

### 1st setup ###

pcoupl                   = berendsen
pcoupltype               = anisotropic
tau_p                    = 5.0      5.0      5.0      0.0    0.0    0.0
compressibility          = 4.53e-5  4.53e-5  4.53e-5  0.0    0.0    0.0
ref_p                    = 1.025    1.025    1.025    0.0    0.0    0.0


### 2nd setup ###

pcoupl                   = berendsen
pcoupltype               = anisotropic
tau_p                    = 5.0      5.0      5.0      5.0    5.0    5.0
compressibility          = 4.53e-5  4.53e-5  4.53e-5  0.0      0.0      0.0
ref_p                    = 1.025    1.025    1.025    1.025  1.025  1.025


Which one would you suggest for anisotropic coupling (solvated pore
immersed into a membrane)


Thanks,
MG.