[gmx-users] g_rotacf

Rama Gullapalli quantrum75 at yahoo.com
Fri Sep 22 17:10:17 CEST 2006


Hello everybody,
  
  I have nearly 100 different vectors to analyse using g_rotacf. I was  wondering if there was anyway to do this in GROMACS simultaneously  since g_rotacf does not have have the -ng option like in g_traj or  others.
  
  I would imagine one could use a awk script to run g_rotacf to run a  hundred times, but I am not sure how to go about it. If anyone can  provide me with pointers on that it would be great
  
  Thanks in advance
  Rama
  
 		
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