On Mon, Nov 28, 2011, Urszula Uciechowska wrote:
>
> In my pdb file I have covalently linked nerve to serine203, (attached
> pdb file). I was wondering if anyone could suggest me how to get
> the parameters for this residue, would be enough to use antechamber
> somehow?
Antechamber can work with modified amino acid residues, see the second item at
http://ambermd.org/antechamber/example.html; remember that you need to add all
hydrogen atoms first.
Another option is R.E.D.: see the links from the Amber web page. R.E.D. would
be my preference, for reasons that you can see on its web page.
...good luck....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 28 2011 - 10:30:03 PST
