AMBER Archive (2008)

Subject: AMBER: latest update on residuegen

From: Junmei Wang (junmwang_at_gmail.com)
Date: Tue Aug 26 2008 - 08:55:09 CDT

Hi,
I have improved residuegen to handle different situations of generating
residue topologies. Now respgen can generate prepi for normal
amino-acid-like or nucleic-acid-like residues, the termainl residues
(C-terminal, N-terminal, 3' and 5' nucleic acid residues), the organic
molecules (if you want to use multiple conformations and/or cap atoms and/or
predefined atomic charges), and amino-acid-like residues with side chains
being linked to other residues. Please let me know if you encounter some
trouble.

Attached are the latest version of residuegen.c and prepgen.c

Best

Junmei




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