[gmx-users] Fe_S clusters

[nk yx]

Hi all,
    I'm going to carry out MD simulation on a protein containing 
iron-sulfur clusters(Fe2S2, Fe3S4,Fe4S4) using Gromacs. I want to add a new 
block in the *.rtp file. However, the parameters such as bonds, angles, 
dihedrals were not available. I wonder if anyone has done the similar 
system. Would you share the experience with me? I would appreciate very 
much if you could give me some advice.


Best regards,
Roy

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