VMD-L Mailing List

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Tue Aug 08 2006 - 21:31:51 CDT

Hi Gaurav,

You can use the attached file as a template. You need to modify the
name of your output file and your atoms selection.

Hope it helps!
Michel

2006/8/8, Gaurav Sharma <sharma_at_coe.neu.edu>:
> Hi All,
>
> I want to calculate the total SASA of a given atomselection for each
> frame of the trajectory so that I can plot the variation of the protein
> SASA over simulation time.
>
> I wonder if anyone has a script for this procedure to share with me.
>
> Thanks in advance for your help.
>
> Gaurav
>
>


  • application/x-tcl attachment: sasa.tcl