AMBER Archive (2009)
Subject: Re: [AMBER] methyl group at the N-terminal
From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Fri Jun 19 2009 - 07:12:36 CDT
> I would like to know whether it is possible or not to substitute one
> of the hydrogen at the N-terminal of a protein with a CH3 group
> using leap, and eventually how.
You will have to develop a new fragment for your (+)MeNH2-terminal aminoacid.
You could try to follow what is done @
replacing (+)NH3-Me (methylammonium) by (+)MeNH2-Me to see if this works.
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