On Wed, Aug 28, 2013, Mahmoud Soliman wrote:
>
> 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.
What did you try, and what happened? Did you follow the steps
of tutorial A1, which sets up a covalent linkage to a ligand?
Without knowing what you tried and what the result was, no one on the list can
be of much help.
...regards...dac
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Received on Wed Aug 28 2013 - 06:00:03 PDT
