Dear gmx-users.

It is a pity no one wanted to help me,
but I have found the answer by myself
and want to share it with you...

For the problem with the pressure scaling
more than 1% I can recommend to use the
following link:

http://wiki.gromacs.org/index.php/error

After increasing the tau_p up to 1.0 ps
the Simulation worked very well...

Sincerely,
Mark

[EMAIL PROTECTED] wrote:
Dear gmx-user.

I try to start simulating bilayer membrane systems for which I need to set the pressure coupling semiisotropic...

After processing mdrun I get quite a lot of WARNINGs telling:

Warning: pressure scaling more than 1%

Does this mean that I did not run the energy minimization long enough and there are some high forces? Is there something else that I am doing wrong?
In my mdp file, the pressure coupling looks like:

; Pressure coupling
Pcoupl                   = berendsen
Pcoupltype               = semiisotropic
; Time constant (ps), compressibility (1/bar) and reference P (bar)
tau_p                    = 0.2  0.2
compressibility          = 4.5e-5  4.5e-5
ref_p                    = 1.0  1.0

Thanx,
Mark

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