[gmx-users] (no subject)

HongTham hongtham0709 at gmail.com
Fri May 29 08:13:41 CEST 2015

Dear Gromacs User,
I simulated a coarse grained membrane protein system. This is my pressure
control parameter.
; pressure control
Pcoupl           =  berendsen       ;
Pcoupltype       =  semiisotropic   ;
tau-p            =  5.0 5.0         ;
compressibility  =  4.5e-5 4.5e-5   ;
ref-p            =  1.0 1.0 1.0 1.0 ;
refcoord_scaling = all              ;
Although I set Pcoupltype as semiisotropic, after running simulation a
while, my box was changed from cubic (starting) to rectangular
parallelepiped. the x,y direction were shortened while z direction was
lengthened a lot. is there any option to control the box size through the
Thank you so much.

More information about the gromacs.org_gmx-users mailing list