[AMBER] Simulating a covalently bound ligand

From: senal dinuka <senal.ichemc.edu.lk>
Date: Tue, 23 Oct 2018 10:18:53 +0530

Dear AMBER users,

I'm simulating a protein-ligand complex in which ligand is bound covalently
to the protein at 2 amino acids residues namely GLH and GLU. I would like
to know whether I am supposed to generate specific parameters for the
forming bond or would using bond <atom> <atom> in leap does this for me?

Thank you 

-- 
D L Senal Dinuka
Grad.Chem., A.I.Chem.C.
Research Assistant
College of Chemical Sciences
Institute of Chemistry Ceylon
Rajagiriya
Sri Lanka
+94 77 627 4678
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 22 2018 - 22:00:01 PDT
Custom Search