From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Wed Jul 27 2011 - 01:29:59 CDT
Hi JC,
I'm not very familiar with this, but isn't curvature a local property?
Here you want a kind of mesoscopic measurement on the whole chain, so
if the chain twists, it gets complicated. My best guess for a simple
yet relevant quantity is the angle between three groups, two ends and
the center of the chain.
Cheers,
Jerome
On 26 July 2011 22:43, JC Gumbart <gumbart_at_ks.uiuc.edu> wrote:
> Has anyone considered how to use a collective variable to measure a PMF as a function of radius of curvature for a polymer? I thought about something like a combination of angle terms between successive links, but it wouldn't necessarily stay planar.
>
> Thanks!
> JC
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