[gmx-users] Search more information of Atom type: N inside the R-N(CH3)3

Chih-Ying Lin chihying2008 at gmail.com
Mon Sep 22 17:16:18 CEST 2008

What is the atom type of Nitrogen inside the molecule  R-N(CH3)3  ?

I check the ffG53a5.itp and ffG53a6.itp and the related Gromos FF papers.

There are 6 atom types for Nitrogen.
N         peptide nitrogen (NH)
NT       terminal nitrogen (NH2)
NL       terminal nitrogen  (NH3)
NR      aromatic nitrogen
NZ      Arg NH (NH2)
NE      Arg NE (NH)

My understanding is either NT or NL but not sure which is the exact one.

Could anyone direct me about the decision of the atomic type?

Thank you

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