AMBER Archive (2009)

Subject: Re: [AMBER] topology file for GLY with amino and carboxyl group?

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Tue Jan 27 2009 - 14:02:14 CST

Dear Jose,

> Is there a topology file for GLY containing both the NH_3 and COO termini
> groups? Residues NGLY and CGLY have either of the two, but not both of them
> together.

No such monomer is not available in the AMBER force field topology database.

This would be quite interesting to generate the 20 force field
libraries for the 20 zwitterions for the 20 regular amino acids...
http://en.wikipedia.org/wiki/Zwitterion

regards, Francois

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