VMD-L Mailing List

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Wed Jun 06 2007 - 10:55:19 CDT

Dear Richard,
Grischa Meyer uses a simpler algorithm to calculate Scd on curved
bilayers. Take a look at

Grischa R. Meyer, Justin Gullingsrud, Klaus Schulten, and Boris Martinac
Molecular Dynamics Study of MscL Interactions with a Curved Lipid Bilayer
Biophys. J. 2006 91: 1630-1637

If you think this approach is valid for your system, you might contact
him and ask for the script.
Regards
Cesar

Richard Swenson escribió:
> I am new to tcl scripting for VMD, but have written script that
> computes the bilayer normal and corresponding lipid order parameters
> for each lipid in a non-planar bilayer. Unfortunately, the script
> will take about a month to finish. Does anyone have a better script
> or any tips on how to speed up performance?
> Thanks for the help!
> Richard
>