[gmx-users] NPAT

priyanka srivastava priyankaps4 at yahoo.com
Sat Aug 12 16:16:30 CEST 2006

Dear All,

I want to do a lipid simulation using NPAT ensemble.
This is how I am defining the .mdp file.
I am not sure of these values though, kindly correct
me if I am doing something wrong.

compressibility = 0 0 0 0 0 0 ; off diagonals are zero
ref_p 0 1 
pcoupltype semiisotropic    ; requires two values x/y

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