[gmx-users] pressure coupling not enough values (I need 2)

[Justin A. Lemkul]

afsaneh maleki wrote:
> Hi,
> 
> 
> grompp show the error as below:
> 
> ERROR: pressure coupling not enough values (I need 2)
> 
>  
> 
> I used ref_p       =1.  In  file.mdp
> 
> How to solve this problem?
> 

Without seeing the rest of your pressure coupling settings, I can only assume 
that you're using semi-isotropic coupling, and thus, per the manual:

"Pressure coupling which is isotropic in the x and y direction, but different in 
the z direction. This can be useful for membrane simulations. 2 values are 
needed for x/y and z directions respectively."

-Justin

> 
> thanks in advance,
> Afsaneh
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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