[gmx-users] protein movement in lipid bilayer during simulation

[ram bio]

Dear Gromacs Users,

I am performing an all-atom simulation of protein ligand complex in
lipid bilayer , but after around 100ns, I see that the protein started
moving in one dimension in the lipid bilayer that is it is not in the
centre, I want the position of the protein fixed through out the
simulation, so pl suggest regarding this..

and is it ok if I increase the position restraints for the protein by
changing the values of forces on x y and z dimensions in the posre.itp
file (below) of the protein, and if so how much can i increase the
force, so that i doesnot effect the simulation.

[ position_restraints ]
; atom  type      fx      fy      fz
     1     1  2000  2000  2000
     5     1  2000  2000  2000
     7     1  2000  2000  2000
    10     1  2000  2000  2000
    13     1  2000  2000  2000
    14     1  2000  2000  2000
    18     1  2000  2000  2000
    19     1  2000  2000  2000
    20     1  2000  2000  2000
    21     1  2000  2000  2000
    23     1  2000  2000  2000
    26     1  2000  2000  2000
    29     1  2000  2000  2000
    32     1  2000  2000  2000
    33     1  2000  2000  2000
    34     1  2000  2000  2000
    35     1  2000  2000  2000
    37     1  2000  2000  2000
    40     1  2000  2000  2000

Thanks in advance,

Ram