VMD-L Mailing List

From: Barry Isralewitz (barryi_at_ks.uiuc.edu)
Date: Wed May 08 2002 - 11:37:05 CDT

Hi Mark,

On Wed, May 08, 2002 at 12:16:23PM -0400, Storr, Mark wrote:
> Barry,
>
> thanks for the mail, the script now works fine and is just what I am looking
> for, apart from the part that relies on me writing something!

  Gald to hear it.

> I was therefore wondering, if I use Awk and get a simple text file of say
> column 1 step number and column 2 total system energy, is it possible to
> read this file using tcl and display the file with the animation? I guess
> this would be the easiest way for me to start with rather than starting with
> the whole of the NAMD output file.

>
> Thanks
>
> Mark

        Exactly. NAMD energy is output is quite awk-able -- though I
prefer perl scripts myself for this sort of thing. A few lines of tcl
can read in the results in the make_data proc.

Speaking of displaying precomputed data, you can see a movie of a
force/extension graph, that reads in precomputed data for hydrogen
bond (pink tubes in movie) information at

http://www.ks.uiuc.edu/Research/smd_imd/titin/titin-pull-graph.mov

        
                                Cheers,

                                Barry 

-- 
Barry Isralewitz     Beckman 3121    Theoretical Biophysics Group, UIUC  
Office Phone: (217) 244-1612    Home Phone: (217) 337-6364
email: barryi_at_ks.uiuc.edu      http://www.ks.uiuc.edu/~barryi