[gmx-users] tau_p
parinald at unsl.edu.ar
parinald at unsl.edu.ar
Wed Dec 17 16:19:00 CET 2003
Thank`s Oliver and David:
I done MD for my sistem ( CL- NA+ 330Water)
at P=cte.
; Isotropic pressure coupling is on
Pcoupl = berendsen
Pcoupltype = isotropic
tau_p = 1.0
compressibility = 4.5e-5
ref_p = 1.0
The presure is really bad, very bad (average -0.5 bar, after 100ps)
I change tau_p= 0.5, then I obtain less fluctuacions.What is the
right value(s) of tau_p?.
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