[gmx-users] High pressure

Alex alexanderwien2k at gmail.com
Wed Jun 13 19:46:48 CEST 2018

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


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