[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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