[gmx-users] help

[Weihua Li]

Dear gmx-usersAll，
     I am now carrying out some research of cytochrome P450 using Gromacs3.1.
     I'd like to define a "bond" between heme Fe and S of Cys in the prtein.however,there are no ff parameters on Fe-S bond,angles,dihedrals in gmx or gromos96 force field. 
    Anybody has experience about it?
    All suggestions are appreciated. 

Best regards                 
Weihua Li
==========================================
 Center for Drug Discovery & Design     
 State Key Laboratory of Drug Research
 Shanghai Institute of Materia Medica
 Chinese Academy of Sciences
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 Shanghai 200031
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 E-mail: whli at mail.shcnc.ac.cn 
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