Re: [AMBER] Problem related to the residue template of zwiterionic state

From: case <>
Date: Sun, 10 Jul 2011 21:36:39 -0400

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:]


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Received on Sun Jul 10 2011 - 19:00:03 PDT
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