[gmx-users] Change in the positon of structural Zinc and calcium ions during MD

[Rama]

Hi Gromacs users,

I'm doing protein-Bilayer MD simulations. Enzyme contains structural zinc
and calcium ions during Energy minimization, NVT and NPT stage, ions are
changing there position even though I applied position restraints for the
atoms and ions.

Anyone could help me out.


Thanks

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