AMBER Archive (2004)

Subject: AMBER: Residue question

From: opitz_at_che.udel.edu
Date: Tue Mar 09 2004 - 10:29:22 CST

('binary' encoding is not supported, stored as-is) Dear Amber Community,

When I define my own residues in leap, I have to define the atom type
(e.g. h1, c3, hn, etc.). Do I also have to define the charge of the
individual atoms? If so, where do I find the information on this to do it?

On a different note, what is the difference between the nucleotides
defined in the different libraries (e.g. DAN vs. DA)?

Thanks,

Armin

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