Dear all,
I am working with a protein for which structure is not known. From the peptide sequence, I modeled the structure which has three zinc finger domain. My next task is to insert zinc ions in those zinc finger domains. After insertion of the ions, the problem is that the zinc ions keep of moving during energy minimization. The zinc should bind to the CYS residue with distance between the Sulfur atom of CYS and Zn2+ ~2.5 Angstrom. However in my case , the zinc moves and distance is 4A+ after energy minimization. What should I do ?
Thanks to all.