[gmx-users] Coordinate output for test particle insertion

Michael McGovern mpmcgovern at wisc.edu
Mon Jan 4 04:25:10 CET 2010


Hello everyone.  
I'm using the test particle insertion code in gromacs, and I need the coordinates of the particle insertions for some analysis.  Unfortunately, this is not given in any output file so I need to modify the source code.  I've been trying to figure out what I need to change, but I have not succeeded.  I just need to know where to find the coordinates of the particle and how to change the output so that it is output.  Can anyone give me any guidance? 
Thanks a lot.


      
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