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Date: Sun, 20 May 2001 17:09:27 -0400
From: Artem Mamonov <artem- at -imap.pitt.edu>
Subject: ALA carbonyl flip in alpha helix protein
To: chemistry -x- at -x- ccl.net
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Dear all,
Working on MD simulations (AMBER6, parm96.dat) of a small alpha helix 
protein (gramicidin A) i've noticed that some ALA carbonyls of the 
backbone flip over (~180 degrees) along the helix. I am wondering if it 
can take place in a real life or it's a drawback of the force 
field/parametrisation/methodology. I will appreciate any 
comments/references.

thanks

-- 
Artem Mamonov
Graduate Student
Department Of Chemistry
University Of Pittsburgh
email: artem |-at-| imap.pitt.edu