[gmx-users] strange behaviout in 5.1.2

[Kortzak, Daniel]

Dear All,

when using gmx-5.1.2 with a mdp file with the following pressure coupling parameters:

; pressure coupling
Pcoupl                   = berendsen
Pcoupltype               = semiisotropic
nstpcouple               = -1
; Time constant (ps), compressibility (1/bar) and reference P (bar)
tau_p                    = 5 5
compressibility          = 4.5e-5 4.5e-5
ref_p                    = 1.0 1.0
; Scaling of reference coordinates, No, All or COM
refcoord_scaling         = all


grompp gives the error message:


ERROR 1 [file parameter.mdp, line 387]:
  Right hand side '5 5' for parameter 'tau_p' in parameter file is not a
  real value


With versions below 5.1.2 everything seems to be fine. Are there additional changes beyond what is mentioned in the release notes or am I to blind to find the right section?

Best,
Daniel



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