Dear gromacs users, I've to simulate a protein with an 4Fe-4S and a 3Fe-4S iron sulphur cluster.
Lot of approaches are present in literature. There are a lot of papaers suggesting partial charges but very few suggestions regarding bonded and not bonded parameters. So i am wondering if any member of this mailing list can send me a link, a file or something advice can be useful to obtain the topology of a protein with the iron sulphur clusters. It is worth noting that I am not interested in electronic properties so also advice using restraint are ok for me. Francesco
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