[gmx-users] FAD containing protein

Andrea Carotti and.carotti at farmchim.uniba.it
Tue May 11 11:23:29 CEST 2004

Hi gmx-users,
    I'm trying to prepare the input file of a FAD containing protein.
My FAD is covalently bound to a CYS residue. I've seen in the thesis of
Anton Feenstra that he changed the resiudue and the atom type in a manner to
be recognized by the gromos force field..He changed the FAD in FMN+AMP with
the respective atom types.
Someone did the same? and in my case (with the bond with the cys) what I
should do?
Please someone guide me in the preparation (topology file...)
Thanks a lot

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