[gmx-users] Print neighbour list

fabio trovato fabiotrovato at gmail.com
Sat Feb 17 00:06:50 CET 2018


I am trying to output the neighbor list calculated during a simulation. I
consulted the manual which says that DUMPNL is the env variable suited for
this purpose.

In my bash script I first set up:
export DUMPNL=10

and then run the simulation (GROMACS version 4.5.4).

I do not see any neighbor list printed in my md.log file. What am I doing
wrong? Does anyone knows how to solve this?

Thank you,

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