[gmx-users] Print neighbour list

2018-02-16 Thread fabio trovato
Hi, 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 neighbo

[gmx-users] printing neighbor list

2018-02-14 Thread fabio trovato
Hi, 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 neighbo