[gmx-users] Atom type: N inside the R-N(CH3)3
chihying2008 at gmail.com
Mon Sep 22 09:50:15 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.
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