AMBER Archive (2005)

Subject: RE: AMBER: classes

From: Vineet Pande (pande_vineet_at_hotmail.com)
Date: Thu Feb 24 2005 - 08:29:19 CST

>Hi, I write because I want to know something formal,how atoms are
>classified? For example CT, HC, H, NA, etc. What are they? atom classes or
>atom types. Are they further divided in other groups?
>Thanking in advance
>Gustavo

My opinion about your question-
The nomenclature is in following ways:
(1) Atom-Types: This is something to do with a type of atom defined in a
force-field for example an aromatic "atom-type" in AMBER is CA....etc.

(2) Atom-Labels: Like in a PDB file the names of atoms...1H1 or C69....etc.

What do you mean by further dividing them into other groups....
cheers
vineet

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