AMBER Archive (2009)

Subject: [AMBER] Fwd: average torsional energy

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Sun Jun 07 2009 - 11:09:37 CDT

I forgot to mention that the helix is immersed into a hydrated
TIP3PBOX POPC lipid membrane, which is my major concern.
francesco

---------- Forwarded message ----------
From: Francesco Pietra <chiendarret_at_gmail.com>
Date: Sat, Jun 6, 2009 at 6:57 PM
Subject: average torsional energy
To: Amber <amber_at_ambermd.org>

My I ask about the practice of correctly evaluating from the DIHED
term (with Amber 9 or 10) the average torsional energy for an alpha
helical stretch where a major bending at a GLY residue is observed?

thanks
francesco pietra

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