[gmx-users] Aout Restraint on Water oxygen atoms
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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