[gmx-users] how to set up pressure in gmx?

[zhongjin]

Hello to all users,
 
   I am not sure how to set pressure if pcoupltype  = semiisotropic
 
it should be :
; Pressure coupling     
Pcoupl                   = Parrinello-Rahman
Pcoupltype               = semiisotropic
nstpcouple               = -1
; Time constant (ps), compressibility (1/bar) and reference P (bar)
tau-p                    = 1  1
compressibility          =0  4.5e-5
ref-p                    = 1.0   1.0
; Scaling of reference coordinates, No, All or COM
refcoord_scaling         = No
; Random seed for Andersen thermostat
andersen_seed            = 815131
 
 
 
 
or 
 
 
; Pressure coupling     
Pcoupl                   = Parrinello-Rahman
Pcoupltype               = semiisotropic
nstpcouple               = -1
; Time constant (ps), compressibility (1/bar) and reference P (bar)
tau-p                    = 1
compressibility          =0  4.5e-5
ref-p                    = 1.0   1.0  1.0
; Scaling of reference coordinates, No, All or COM
refcoord_scaling         = No
; Random seed for Andersen thermostat
andersen_seed            = 815131
 
 
How many values should be set for ref_p  and tau-p ?
 
 
Thanks!
 
                    Zhongjin He
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