[gmx-users] NPT compress Box using negative Pressure

Christian Bope Domilongo christianbope at aims.ac.za
Wed Nov 25 05:49:47 CET 2015

Dear all,

Need help on how to set negative pressure in order to compress the Box.
I have used negative pressure (-0.2) but the box is still expending.

; Pressure coupling
Pcoupl                   = parrinello-rahman
Pcoupltype               = semiisotropic
nstpcouple               = -1
; Time constant (ps), compressibility (1/bar) and reference P (bar)
tau-p                    = 1.0 1.0
compressibility          = 0 4.5e-5
ref-p                    = 1.0 -0.2


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