[gmx-users] problem with undistribution of water

[sudheer babu]

Hi gmx users,
I inserted my protein into Popc Bilayer . EM is fine,  when I do
equilibration the water molecules from oneside of bilayer moving to other
side, it looks undistribution of water , but total sturucture in cubic form.
can you give me detailed information regarding this problem
is it due to pressure coupling?

; Berendsen temperature coupling is on in two groups
Tcoupl              =  Berendsen
tc-grps             =  POPC   Protein   SOL_Cl
tau_t               =  0.1     0.1      0.1
ref_t               =  310     310      310
; Anisotropic pressure coupling is on
Pcoupl              =  berendsen
pcoupltype          =  anisotropic
tau_p               =  2.0      2.0     2.0     2.0     2.0   2.0
compressibility     =  4.5e-5   4.5e-5  4.5e-5   0       0      0
ref_p               =  1.0      1.0     1.0      0       0      0
 pbc                = xyz


Thanks in advance........
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