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

[priyanka srivastava]

thank you so much for a prompt reply.

how about the ref_p value? will that be 1 only? or 0 1
the way I had specified in my previous mail?

regards,
pri...


--- Pedro Alexandre Lapido Loureiro
<paloureiro at biof.ufrj.br> wrote:

> >
> > 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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