[AMBER] How can I do MD simulation of a protein-ligand complex where the ligand is covalently attached to the protein

From: Bikash Ranjan Sahoo <bikash.bioinformatics.gmail.com>
Date: Thu, 16 Oct 2014 09:50:03 +0900

Dear Amber-users,
         I am trying to simulate a protein-ligand complex where the ligand
is covalently attached to two amino acid residues. During topology
preparation the covalent bond is missing. Please guide me how to perform MD
for such kind of complexes.



Thanking You
Sincerely
Bikash,
Osaka Univ. Japan
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Received on Wed Oct 15 2014 - 18:00:02 PDT