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
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