[gmx-users] anisotropic pressure coupling for temperature annealing

[Mark Abraham]

Q733 wrote:
> Dear gmx-users, I used anisotropic p-coupling for lipid bilayers and 
> annealed the system from 330K-300K at the ratio of 2 degree/ns.And the x 
> dimension and y dimension increased with time in the whole 
> procedure, but actually the area/lipid should decrease when tempreture 
> decreases. I think there may due to the P couple parameters I used. Now 
> I write them here:
>  
>  tau_p               =  2.0      2.0     2.0     0       0       0
> compressibility     =  4.5e-6   4.5e-6  4.5e-6  0       0       0
> ref_p               =  1        1       1       1       1       1    
>  
> Is there anything wrong with my parameter? or should I use
>  
>  
> ref_p               =  1        1       1       0       0       0   
>  
> I saw someone use this ref_p  before.

tau_p and ref_p only take one parameter. The form for compressibility
varies with pcoupletype. See manual section 7.3.14

Mark