Dear amber users,
within ptraj there is the functionality of extracting dihedral angles by
explicitly stating the 4 necessary atoms. Is there also an easy way of
getting the phi and psi angles of a complete protein? I want to avoid to
define all angles of a 200 residue protein manually:-)
Any hint is highly appreciated!
-Harry
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Dr. Harald Lanig Universitaet Erlangen/Nuernberg
Computer-Chemie-Centrum Naegelsbachstr. 25, D-91052 Erlangen
Phone +49(0)9131-85 26525 harald DOT lanig AT chemie.uni-erlangen.de
Fax +49(0)9131-85 26565 http://www.chemie.uni-erlangen.de/lanig
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Received on Fri Sep 24 2010 - 04:30:03 PDT