On Sun, Jul 10, 2011, Sindrila Dutta banik wrote:
> I want to load a zwiterionic amino acid (His) [the negatively charged
> carboxylic acid group and positively charged amino group of amino acid].
Amber doesn't have standard libraries for any individual amino acids, i.e.
that are not part of a polypeptide chain.
You can create one of your own by editing an existing residue, probably either
NHIS or CHIS. You would use antechamber or R.E.D. to help with this. [It
might already even been in the R.E.D. database, so check there first:
http://q4md-forcefieldtools.org/RED/.]
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jul 10 2011 - 19:00:03 PDT
