The eneseq Plugin
This plugin writes energy, temperatures, pressures, and other summary data to an output file. For more information on the individual entries in the ene file, see the output file documentation.
This is turned on by default for all MD stages, with the following settings:
eneseq = {
name = "$JOBNAME$[_replica$REPLICA$].ene"
first = 0.0
interval = 1.2
}
The above settings specify an .ene file written at the first timestep, and at every 1.2ps of simulation time. The output filename will be JOBNAME.ene for non-replica exchange stages, and will include the replica number for replica exchange stages (as specified in Using Macros in Config Files).