whli at mail.shcnc.ac.cn
Wed Dec 4 11:27:18 CET 2002
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.
Center for Drug Discovery & Design
State Key Laboratory of Drug Research
Shanghai Institute of Materia Medica
Chinese Academy of Sciences
294 Taiyuan Road
People's Republic of China
E-mail: whli at mail.shcnc.ac.cn
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