[gmx-users] Labeled protein

shiva birgani sh.birgani at gmail.com
Wed Jul 6 18:12:57 CEST 2011

Dear Justin
I have prepared the pdb structure of an organic compound.
This compound is applied as a lable which covalently and specifically
attaches to a Cys residue of our protein.
I want to attache the label to the protein and simulate this complex.
what I need to know is that Can I manualy attache the lable o the
protein in the primary pdb file of protein or the other way is
suggested? If there are other points that I should concern in this

Thanks in advance,
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