[gmx-users] modelling of calcium ions

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Sun Feb 5 10:19:17 CET 2017

Hi all GMX usersI hope you are wellI want to simulate a protein-ligand complex. There are two calcium ions in the crystallographic structure of protein. I want to keep them. I find non-bonded parameters of Ca+2. How can I use these parameter for modelling of calcium ions.? Please guide me.ThanksBest

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