Hi !!
I to construct to the block for residuo FS4 of the two clusters in the .rtp file of the force field ffgmx with all the linkings, angles etc., beyond the on and not on parameters. When I run pdb2gmx, it does not give menssagem of error, but the linkings between the cysteins (SG) and atoms of iron do not appear in the topology (.top) file. Although I have edited the
1jnr.pdb, including the conections between atoms of iron and organics atoms of the cisteinas.
What it can be?
They help me please!
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