fix: comment bilayer md.mdp nsteps

[EydlinIlya]

eyond the typo fix, I'm troubleshooting why the bilayer gap isn't closing even after 100 ns of NPT. I noticed steps_equil=0 in the utils and suspect this might be part of the problem. Is this behavior expected for this setup?

def compress_equilibrate_bilayer(

    u,

    pdb,

    top,

    pressure=1000.0,

    steps_compression=200_000,

    # steps_equil=500_000,

    # steps_equil=200_000,

    steps_equil=0,

):

    """Compress and equilibrate a lipid bilayer in two phases.



    Phase 1 applies z-coordinate restraints with a membrane barostat at

    elevated pressure (XY-isotropic, Z-fixed) until volume converges.

    Phase 2 removes the restraints and continues equilibration at 1 bar.
    
    ```
    
    
    
     

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[maxscheurer]

Hi @EydlinIlya, thanks for reporting that! Could you open an issue about the not-closing bilayer gaps with an example YAML? I think this can sometimes happen depending on the lipid composition in your system.