Dear Users. Maybe this question is easy for all, but i have problems, patience please.
I do not have experience with metals, now I have a protein (crystal) with Fe+2, which is coordinating with three HISTIDINES, one D and two molecules of water, when I try to run "pdb2gmx" the program tells me "Residue "FE" not found in residue topology database". I opened the database for forcefield ffG43a1 and only found FE for heme group. I search other forcefields for iron+2, but most refer to heme groups. Why? and what happend with Fe+2? What can i do? I would very grateful if someone gives advices or ideas. thanks in advance Miguel
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