[gmx-users] Print Neighbour list

Paolo Conflitti paolo.conflitti at gmail.com
Mon Jan 28 12:49:26 CET 2019


Thanks for your prompt reply.

I wanted to print the neighbour list to better understand the way it is 
processed.
I am currently trying to modify the Gromacs code in order to print only 
the neighbour list of the water molecules around a certain atom. I got 
inside the code and I found the algorithms that process this kind of 
information, but I also wanted to see how the data are organized.
May I ask you if you know of a different way or variable (maybe a 
commented line somewhere inside Gromacs) that will allow me to do 
something similar?

Best,
Paolo



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