[gmx-users] parameter for iron(HEME) and S-Cys

[Zhanglin Ni]

Dear all,
The pdb2gmx can find the special bonds such as the coordinate covalent 
bond between CYS-S and Iron of  HEME, but the library for example 
ffG53a6bon.itp doesnot contains the parameters for bond angle such as 
S-Fe-NR(heme), bond  or dihedral torsional angles. Any suggestion to get 
the parameters or provide me the parameters in case you have done so. I 
tried to get those from literatures, but couldnot get detailed info. Thanks
johnny