[gmx-users] Kindly read this one, Apologies for the previous mail.

[Pedro Alexandre Lapido Loureiro]

>
> compressibility = 0 0 0 0 0 0 ; off diagonals are zero
>
>                                 too!(hence 6 values,
> as
>                                 suggested by Erick
>                                 Lindahl on one of the
>                                 replies)
> ref_p = 0 1
>
> pcoupltype = semiisotropic      ; requires two values
>                                 x/y and z.
>
Hi Priyanka,

if you chose semi-isotropic coupling, then you have to define 2  
compressibility values: x/y and z.
As long as you want a NPAT simulation, then write in the .mdp file:

compressibility = 0.0  4.5e-5

Cheers,

Pedro.



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