Dear Amber experts,
I have been digging deep to find a feasible way to to set up parameters
for a covalent bond between a ligand and amino acid residue in protein
using antechamber/tleap for subsequent MD simulations, unfortunately,
not successful. Attached is the PDB structure of my covalent complex.
The covalent bond is between Cys1(SG) and the LIG (C11). I would be very
much appreciated if someone can help me with this.
Thanks in advance
M Elkot
Molecular modeling and drug design lab
UKZN
SA
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Received on Wed Aug 28 2013 - 01:00:02 PDT
