[gmx-users] High pressure

[Alex]

Dear all,
I have mixture of two types of short polymer in aqcuse solution on top of a
slab surface. After NVT equilibration, I run NPT with ref-p = 1
semiisotropically, below is part of my npt.mdp file.
I wonder why the pressure in the system is stable around *30000* after 3ns
in spite of of ref-p = 1?


pcoupl                      = berendsen
Pcoupltype               = semiisotropic
tau-p                         = 2.0
compressibility          = 0.0 4.46e-5
ref-p                          = 1.0 1.0
refcoord-scaling         = com

Thanks.
Regards,
Alex