[gmx-users] Warning: pressure scaling more than 1%

Wissensbund at gmx.net Wissensbund at gmx.net
Mon Jan 28 17:09:34 CET 2008

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 
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


More information about the gromacs.org_gmx-users mailing list