[gmx-users] metal_complex as ligand

tarak karmakar tarak20489 at gmail.com
Sun Dec 2 07:28:49 CET 2012

Dear All,

In my system, I want to see the binding of a ligand, composed of a
divalent metal and 6 ligands, to a protein. I am not sure that
movement of this type of complex ( ligand) towards the protein active
site cavity can be feasible or not.  If anyone has some experience or
idea for this kind of problem, please describe me in brief.


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