Matteo Guglielmi wrote:
Hello Folks,
Is there any difference between these two anisotropic pressure setup?
have you tried? if so you know the result. if not, why not?
### 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.
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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
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