[gmx-users] Aout Restraint on Water oxygen atoms

vidhya sankar scvsankar_agr at yahoo.com
Sun Feb 10 16:52:23 CET 2013

Dear Justin Thank you for your reply,

                                                             I have set the Restraint  Along the Z Axis .  as follows
; Position restraint for each water oxygen
 [ position_restraints ]
    i  funct       fcx        fcy        fcz
    1    1         0           0      1000000

  When i visualize The .gro file in VMD, 

Still The water Molecules Are Leaking in the Hydrophobic core . How to Avoid This?
May I Decrease The fcz Value to  1000  ? 

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