[gmx-users] Pressure coupling incorrect number of values (I need exactly 2)-US simulation

[Alex]

The error is actually telling you exactly what is wrong.

First relax your system with pressure coupling, then do pull in NVT. Or, 
possibly adjust the system in such a way that 'direction' pull could be 
used instead of 'direction-periodic'.

Alex


On 8/20/2017 1:53 AM, Alex Mathew wrote:
> Dear Justin,
>
> As per the manual i have changed parameters as
>
> tcoupl                  = berendsen
> tc_grps                 = Protein   Non-Protein Chain_B
> tau_t                   = 1.0    1.0    1.0
> ref_t                   = 310   310   310
> ;
> pcoupl                  = berendsen
> pcoupltype              = semiisotropic
> tau_p                   = 5.0
> compressibility         = 4.5e-5  4.5e-5
> ref_p                   = 1.0     1.0
>
> but i'm getting the error as
>
> Can not have dynamic box while using pull geometry 'direction-periodic' (dim
> z)