problem with namddat_unix: Plz help...

From: hl332_at_drexel.edu
Date: Fri Mar 16 2007 - 12:10:13 CDT

Hi all,
   I am not sure there is a problem with namddat_unix script (Downloaded from namdtututorialfiles) or I am making some mistakes in running it. Here is the thing:

 I tried running this script in my terminal by:

   ./namddat_unix TEMP mainrun.log

 I GET following message in terminal:
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG
Calculating average of TEMP

 Finally i get a file called data.dat
 Opening it with emacs/xemacs shows nothing except a single line: TS TEMP. I tried plotting with xmgrace, i see nothing (obviously when there is no data in it).

 I dont know where did i go wrong. Any help will do great.

Regards
Harish
 

-------------------------------------------------
Harish Vashisth (Ph.D Candidate)
CAT-361,Chemical & Biological Engg.
Drexel University, Philadelphia, PA
office: 215-895-5823

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