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

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 --

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

On 11/12/13 12:35 PM, Rama wrote: 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.