VMD-L Mailing List

From: Alessio Alexiadis (sersunzo_at_yahoo.com)
Date: Wed Oct 03 2007 - 03:28:52 CDT

Hi everybody
   
  I want to count the number of H-bonds of water molecules in a carbon nanotube.
  I used
   
  measure hbonds 3.0 30 $selection_O
   
  which apparently works fine and gives to me the following results
   
  {1700 1238 2420 1232 443 1985} {563 1700 1238 2420 1232 443} {1701 1239 2422 1234 444 1987}
   
  each list has 6 elements and actually if I visualize the H-bonds they are six.
  Now it comes the stupid question... how can manupulate this list? I want to count the number of H-bonds since I need to repeat the measure hbonds command automatically for each frame. All my attempt ended in something like
   
  invalid command name "{1700 1238 2420 1232 443 1985} {563 1700 1238 2420 1232 443} {1701 1239 2422 1234 444 1987}"
   
  Thanks guys
  Alessio

       
---------------------------------
Be a better Globetrotter. Get better travel answers from someone who knows.
Yahoo! Answers - Check it out.