[gmx-users] Calculation of the bending modulus (Kc) of bilayer using spectral intensity.

Mark Abraham Mark.Abraham at anu.edu.au
Wed Aug 1 05:01:58 CEST 2007

Hwankyu Lee wrote:
> Dear gmx-users,
> I'm trying to measure the bending modulus (Kc) of lipid bilayer with 
> different sizes.  I've found some papers, showing that spectral 
> intensity needs to be calculated using the wave vector q, but couldn't 
> understand details.  I wonder if I can hear more details and how to do 
> that using GROMACS.
> Any advice or suggestion will be very appreciated.

My guess from the limited information you've provided here is that 
dynamics within the molecular mechanics approximation is extremely 
unlikely to allow you to generate accurate observables that relate to 
the transmission of light.

If you know about molecular dynamics already, then please elaborate in 
terms of the kind of observables you know you can measure... otherwise, 
please do some background reading about MD!


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