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
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